 Entering Gaussian System, Link 0=g16
 AtFile(1): /user/pierpa/basis_sets/def2TZVPD.gbs
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            ****
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            S    6   1.00
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                214.22107528             0.82869829707D-02
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            ****
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            ****
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            ****
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                922.32722710             0.87395616265D-02
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            ****
            -F     0
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               5318.4728983              0.16700686527D-02
               1210.4810975              0.86733211476D-02
                342.85518140             0.35049933175D-01
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            ****
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               6755.9768656              0.16812736757D-02
               1537.6502864              0.87356062782D-02
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            ****
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               3906.1268548              0.47748604414D-02
                888.97454993             0.24471684829D-01
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            S    3   1.00
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            ****
            -Mg     0
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              31438.3495550              0.60912311326D-03
               4715.5153354              0.47066196465D-02
               1073.1629247              0.24135820657D-01
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            ****
            -Al     0
            S    7   1.00
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               5668.0682165              0.44093016538D-02
               1289.8582841              0.22630967411D-01
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            ****
            -Si     0
            S    7   1.00
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            S    3   1.00
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            ****
            -P     0
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            ****
            -S     0
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            ****
            -Cl     0
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              10426.1568800              0.41990463961D-02
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            S    3   1.00
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              28723.8503630              0.17890329946D-02
               6537.0116490              0.92990401140D-02
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            -Ti     0
            S    8   1.00
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               7217.5476543              0.93984311352D-02
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            -V     0
            S    8   1.00
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               7926.5448691              0.92992490131D-02
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                 89.643627137            0.90796949190D-01
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               8675.2930607              0.94363925721D-02
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              41550.7698900              0.17707650375D-02
               9455.9700152              0.92077209994D-02
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                339.87832894             0.28818881468
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              48839.6364530              0.17499397533D-02
              11114.9373070              0.91003134097D-02
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              52695.8092830              0.17468616223D-02
              11992.4682930              0.90849992136D-02
               3394.5776689              0.36940748447D-01
               1105.3594585              0.12032819950
                397.14677769             0.28596715057
                154.27542974             0.40983020196
                 61.018723780            0.21620642851
            S    4   1.00
                384.45559739            -0.24651279268D-01
                119.04879199            -0.11658505277
                 19.137012223            0.54864126676
                  8.1526718562           0.52640051122
            S    2   1.00
                 12.579408642           -0.22797884293
                  2.0870866081           0.70703738215
            S    1   1.00
                  0.86432568555          1.0000000
            S    1   1.00
                  0.13283169217          1.0000000
            S    1   1.00
                  0.46845327726D-01      1.0000000
            P    6   1.00
               1883.0907486              0.23748258443D-02
                445.95155320             0.19289457172D-01
                143.08430815             0.90718211507D-01
                 53.372920722            0.26181414117
                 21.321919357            0.42309149832
                  8.6643561994           0.24641686015
            P    3   1.00
                 34.144255211           -0.29677129163D-01
                  4.7122455921           0.55616824096
                  1.8709231845           0.96357766460
            P    1   1.00
                  0.70370016267          1.0000000
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.36887339850D-01      1.0000000
            D    4   1.00
                 74.591603465            0.12077454672D-01
                 21.590632752            0.74637262154D-01
                  7.6246142580           0.23236775502
                  2.8632206762           0.39042651680
            D    1   1.00
                  1.0311063388            .39509498921
            D    1   1.00
                  0.33060760691           .21138769167
            D    1   1.00
                  0.1060000              1.0000000
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    8   1.00
             377518.7992300              0.22811766128D-03
              56589.9843110              0.17688035931D-02
              12878.7117060              0.91993460227D-02
               3645.3752143              0.37411016434D-01
               1187.0072945              0.12189873737
                426.46421902             0.28983900714
                165.70660164             0.41531872174
                 65.598942707            0.21905799287
            S    4   1.00
                414.41265811            -0.24682525053D-01
                128.32056039            -0.11716827406
                 20.622089750            0.55301315941
                  8.7821226045           0.52242718609
            S    2   1.00
                 13.741372006           -0.22736061821
                  2.2431246833           0.71761210873
            S    1   1.00
                  0.89370549079          1.0000000
            S    1   1.00
                  0.10836699534          1.0000000
            S    1   1.00
                  0.38806178058D-01      1.0000000
            P    6   1.00
               2034.7596692              0.23524822298D-02
                481.90468106             0.19134070751D-01
                154.67482963             0.90171105278D-01
                 57.740576969            0.26063284735
                 23.099052811            0.42093485770
                  9.3882478591           0.24344615121
            P    3   1.00
                 37.596171210           -0.28991094530D-01
                  5.1240690810           0.54919083831
                  2.0119996085           0.93793330488
            P    1   1.00
                  0.73860686002          1.0000000
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.34015997020D-01      1.0000000
            D    4   1.00
                 74.129460637            0.14363216676D-01
                 21.359842587            0.86628177096D-01
                  7.4995240537           0.25631430541
                  2.7601394169           0.40374062368
            D    1   1.00
                  0.95362061236           .39427042447
            D    1   1.00
                  0.28420862520           .23091146816
            D    1   1.00
                  0.0850000              1.0000000
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    8   1.00
             405924.3102800              0.22442017483D-03
              60846.9557350              0.17402086626D-02
              13847.3430920              0.90513339565D-02
               3919.6158551              0.36817341445D-01
               1276.3594167              0.12004850256
                458.67254435             0.28576057621
                178.28725246             0.41087462062
                 70.612192837            0.21816962456
            S    4   1.00
                443.88077950            -0.24934274984D-01
                137.55875267            -0.11817955766
                 22.268083479            0.55367318468
                  9.5217310606           0.52628934936
            S    2   1.00
                 14.874114065           -0.22929955254
                  2.4647517612           0.71135484742
            S    1   1.00
                  1.0113272238           1.0000000
            S    1   1.00
                  0.14919852089          1.0000000
            S    1   1.00
                  0.51441872981D-01      1.0000000
            P    6   1.00
               2205.3508534              0.23356240448D-02
                522.35300699             0.19031022634D-01
                167.73055542             0.89955758675D-01
                 62.670045373            0.26113248631
                 25.109749456            0.42348448173
                 10.225142681            0.24618926885
            P    3   1.00
                 40.713442521           -0.30029667592D-01
                  5.6247090696           0.55575254864
                  2.2279949116           0.95581013442
            P    1   1.00
                  0.83354741691          1.0000000
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.0477690              1.0000000
            P    1   1.00
                  0.21234841485D-01      1.0000000
            D    4   1.00
                 88.554315311            0.12728170015D-01
                 25.721525557            0.79394499843D-01
                  9.1278367624           0.24491506805
                  3.4312364064           0.40390526479
            D    1   1.00
                  1.2308920645            .40158491145
            D    1   1.00
                  0.39031845112           .21579805034
            D    1   1.00
                  0.1240000              1.0000000
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    8   1.00
             435548.6625400              0.23646329650D-03
              65289.5890310              0.18335271776D-02
              14858.7842560              0.95371863081D-02
               4205.9734729              0.38803412468D-01
               1369.6416431              0.12661604848
                492.30348905             0.30175310292
                191.41923233             0.43543934218
                 75.840558665            0.23282363780
            S    4   1.00
                474.30810613            -0.26743707958D-01
                147.10297560            -0.12654657542
                 23.982599435            0.58840346839
                 10.298230094            0.56324271589
            S    2   1.00
                 16.050381430           -0.24516439508
                  2.6988468784           0.74578049593
            S    1   1.00
                  1.1428588736           1.0000000
            S    1   1.00
                  0.20217652251          1.0000000
            S    1   1.00
                  0.71980152032D-01      1.0000000
            S    1   1.00
                  0.30102057284D-01      1.0000000
            P    6   1.00
               2432.0171070              0.22434065928D-02
                576.12049582             0.18342265336D-01
                185.11584354             0.87279697167D-01
                 69.246572556            0.25684868351
                 27.818107777            0.42398378107
                 11.420229938            0.25701340043
            P    3   1.00
                 42.819661530           -0.19326519119D-01
                  6.3885901000           0.31571386917
                  2.6698993326           0.57617792822
            P    1   1.00
                  1.0781783834           1.0000000
            P    1   1.00
                  0.22796559371          1.0000000
            P    1   1.00
                  0.62836234833D-01      1.0000000
            D    5   1.00
                103.92331829             0.11464613652D-01
                 30.371094389            0.73625747383D-01
                 10.872078097            0.23505107382
                  4.1549137954           0.40318563513
                  1.5345659145           0.40824748152
            D    1   1.00
                  0.51114263830           .20502439263
            D    1   1.00
                  0.30622000             1.0000000
            D    1   1.00
                  0.11391309             1.0000000
            D    1   1.00
                  0.42871691594D-01      1.0000000
            F    1   1.00
                  0.30996095             1.0000000
            ****
            -Ge     0
            S    8   1.00
             466115.0059200              0.22487264660D-03
              69875.4207620              0.17435426729D-02
              15903.2767160              0.90691482206D-02
               4501.8233453              0.36906174685D-01
               1466.0570924              0.12050167907
                527.07841728             0.28748641703
                205.00395074             0.41622321885
                 81.251596065            0.22397845695
            S    4   1.00
                505.74661282            -0.25184609291D-01
                156.96593744            -0.11898929721
                 25.761448176            0.54930135870
                 11.106654687            0.52939309129
            S    2   1.00
                 17.272059104           -0.22854595728
                  2.9438289048           0.68377930317
            S    1   1.00
                  1.2839164916           1.0000000
            S    1   1.00
                  0.25873337445          1.0000000
            S    1   1.00
                  0.93524913177D-01      1.0000000
            S    1   1.00
                  0.41984351140D-01      1.0000000
            P    6   1.00
               2633.9346241              0.22143925310D-02
                624.00161628             0.18140899141D-01
                200.58528404             0.86632184922D-01
                 75.097081525            0.25649020592
                 30.214388474            0.42658611262
                 12.440087567            0.26200527313
            P    3   1.00
                 45.981316002           -0.20321767678D-01
                  6.9945654416           0.32013744527
                  2.9686001327           0.59051014555
            P    1   1.00
                  1.2320988495           1.0000000
            P    1   1.00
                  0.28981614974          1.0000000
            P    1   1.00
                  0.85564606447D-01      1.0000000
            D    5   1.00
                119.44887581             0.10586544521D-01
                 35.062915293            0.69601280945D-01
                 12.636924529            0.22807035287
                  4.8888672922           0.40301067220
                  1.8453195392           0.41304847015
            D    1   1.00
                  0.63571158892           .19639209740
            D    1   1.00
                  0.35492132             1.0000000
            D    1   1.00
                  0.13155709             1.0000000
            D    1   1.00
                  0.56134940012D-01      1.0000000
            F    1   1.00
                  0.36210645             1.0000000
            ****
            -As     0
            S    8   1.00
             498032.4215800              0.22740196900D-03
              74656.8687430              0.17632816413D-02
              16990.9600040              0.91728040381D-02
               4809.6200321              0.37337829344D-01
               1566.2887055              0.12199536117
                563.21360499             0.29137475324
                219.11179978             0.42326351479
                 86.866061030            0.22921464278
            S    4   1.00
                538.19512479            -0.25254197297D-01
                167.14850224            -0.11915461115
                 27.605517159            0.54628495980
                 11.947858521            0.53001520976
            S    2   1.00
                 18.538023133           -0.23479188136
                  3.2018985739           0.69167053428
            S    1   1.00
                  1.4356522077           1.0000000
            S    1   1.00
                  0.31837805200          1.0000000
            S    1   1.00
                  0.11622632186          1.0000000
            S    1   1.00
                  0.50450200093D-01      1.0000000
            P    6   1.00
               2678.9421546              0.23318955287D-02
                634.61765840             0.19042149977D-01
                203.93967606             0.90229744913D-01
                 76.323890369            0.26169037693
                 30.664124943            0.41857168155
                 12.505056732            0.23447830190
            P    4   1.00
                 49.256229549           -0.21235539870D-01
                  7.7274891466           0.30470206668
                  3.5410493476           0.52888373107
                  1.6985585501           0.37272250955
            P    1   1.00
                  0.76848071044          1.0000000
            P    1   1.00
                  0.30050823260          1.0000000
            P    1   1.00
                  0.98190639437D-01      1.0000000
            D    5   1.00
                135.33289305             0.99291144106D-02
                 39.860212744            0.66568843496D-01
                 14.446428359            0.22275768307
                  5.6432900356           0.40309224382
                  2.1668188623           0.41671667946
            D    1   1.00
                  0.76514970569           .18935502288
            D    1   1.00
                  0.42434653             1.0000000
            D    1   1.00
                  0.16331527             1.0000000
            D    1   1.00
                  0.67575334568D-01      1.0000000
            F    1   1.00
                  0.43271941             1.0000000
            ****
            -Se     0
            S    8   1.00
             531071.6669600              0.24108973168D-03
              79603.0441170              0.18696431441D-02
              18115.8442400              0.97271616536D-02
               5127.8923194              0.39604793031D-01
               1669.9130839              0.12948855136
                600.57534527             0.30959437289
                233.70021247             0.45115769216
                 92.672443932            0.24579189033
            S    4   1.00
                571.57513675            -0.26895707881D-01
                177.63686375            -0.12670989353
                 29.517767052            0.57699001719
                 12.824399795            0.56369075408
            S    2   1.00
                 19.848235841           -0.25132415534
                  3.4744018486           0.72905416980
            S    1   1.00
                  1.5988910849           1.0000000
            S    1   1.00
                  0.38333469387          1.0000000
            S    1   1.00
                  0.14049742459          1.0000000
            S    1   1.00
                  0.45053485505D-01      1.0000000
            P    6   1.00
               2815.3500566              0.25569026854D-02
                666.92558298             0.20874026901D-01
                214.34213188             0.98772096250D-01
                 80.246687942            0.28471821221
                 32.251081288            0.45003584934
                 13.106432562            0.24416091055
            P    4   1.00
                 53.366108516           -0.21558456273D-01
                  8.1827777195           0.32662310638
                  3.6239945672           0.57740499319
                  1.6341591401           0.34301320826
            P    1   1.00
                  0.58418320228          1.0000000
            P    1   1.00
                  0.23966269279          1.0000000
            P    1   1.00
                  0.88785134803D-01      1.0000000
            P    1   1.00
                  0.26632920997D-01      1.0000000
            D    5   1.00
                151.82910279             0.93970276988D-02
                 44.839992523            0.64086503991D-01
                 16.328999510            0.21834238004
                  6.4305057612           0.40314789649
                  2.5048025169           0.41966491490
            D    1   1.00
                  0.90271148434           .18366663432
            D    1   1.00
                  0.47683613             1.0000000
            D    1   1.00
                  0.18535160             1.0000000
            D    1   1.00
                  0.64254758023D-01      1.0000000
            F    1   1.00
                  0.48866905             1.0000000
            ****
            -Br     0
            S    8   1.00
             565073.2525600              0.23660314690D-03
              84701.7231790              0.18348332508D-02
              19276.2719000              0.95465849860D-02
               5456.4284576              0.38877142153D-01
               1776.9503500              0.12718314231
                639.19398276             0.30437662191
                248.78823961             0.44490940497
                 98.678305494            0.24381643058
            S    4   1.00
                606.07824568            -0.26527158709D-01
                188.45598484            -0.12484584809
                 31.497144506            0.56468683559
                 13.736008320            0.55555268564
            S    2   1.00
                 21.203212766           -0.24940920493
                  3.7616420178           0.71213119743
            S    1   1.00
                  1.7735933962           1.0000000
            S    1   1.00
                  0.45197413664          1.0000000
            S    1   1.00
                  0.16613377099          1.0000000
            S    1   1.00
                  0.52769579657D-01      1.0000000
            P    6   1.00
               3019.6955723              0.24971049798D-02
                715.35481126             0.20419267596D-01
                229.98328751             0.96897148309D-01
                 86.167844615            0.28053901252
                 34.667870802            0.44606390473
                 14.113870307            0.24410073923
            P    4   1.00
                 57.085653082           -0.21855950710D-01
                  8.8193845840           0.32707075320
                  3.9340302872           0.57855229520
                  1.7998830384           0.33570987698
            P    1   1.00
                  0.66899410512          1.0000000
            P    1   1.00
                  0.27136238231          1.0000000
            P    1   1.00
                  0.10083790243          1.0000000
            P    1   1.00
                  0.29005224647D-01      1.0000000
            D    5   1.00
                168.85370257             0.89663981988D-02
                 49.977949919            0.62062059316D-01
                 18.274913338            0.21474732384
                  7.2455694631           0.40335336746
                  2.8562315025           0.42208813080
            D    1   1.00
                  1.0459621144            .17874813267
            D    1   1.00
                  0.56865655             1.0000000
            D    1   1.00
                  0.22031490             1.0000000
            D    1   1.00
                  0.75865567476D-01      1.0000000
            F    1   1.00
                  0.57083312             1.0000000
            ****
            -Kr     0
            S    8   1.00
             600250.9757500              0.23740610399D-03
              89976.6507810              0.18410240539D-02
              20476.8142250              0.95795580699D-02
               5796.1554078              0.39020650488D-01
               1887.5913196              0.12772645628
                679.11458519             0.30596521300
                264.38244511             0.44857474437
                104.88368574             0.24722957327
            S    4   1.00
                641.47370764            -0.26745279805D-01
                199.57524820            -0.12571122567
                 33.545462954            0.56483736390
                 14.683955144            0.55972765539
            S    2   1.00
                 22.603101860           -0.25298771800
                  4.0650682991           0.70992159965
            S    1   1.00
                  1.9611027060           1.0000000
            S    1   1.00
                  0.52465147979          1.0000000
            S    1   1.00
                  0.19332399511          1.0000000
            S    1   1.00
                  0.61730246979D-01      1.0000000
            P    6   1.00
               3232.9589614              0.24885607974D-02
                765.96442694             0.20379007428D-01
                246.33940810             0.96977188584D-01
                 92.365283041            0.28199960954
                 37.199509551            0.45116254358
                 15.172166534            0.24917131496
            P    4   1.00
                 60.931321698           -0.22173603519D-01
                  9.4792600646           0.32838462778
                  4.2564686326           0.58124997120
                  1.9729313762           0.32863541783
            P    1   1.00
                  0.76337108716          1.0000000
            P    1   1.00
                  0.30943625526          1.0000000
            P    1   1.00
                  0.11569704458          1.0000000
            P    1   1.00
                  0.32364688085D-01      1.0000000
            D    5   1.00
                186.41760904             0.86120284601D-02
                 55.274124345            0.60394406304D-01
                 20.283219120            0.21181331869
                  8.0884536976           0.40366293413
                  3.2214033853           0.42402860686
            D    1   1.00
                  1.1952170102            .17441742274
            D    1   1.00
                  0.6480000              1.0000000
            D    1   1.00
                  0.2510000              1.0000000
            D    1   1.00
                  0.87900125404D-01      1.0000000
            F    1   1.00
                  0.6280000              1.0000000
            ****
            -Rb     0
            S    2   1.00
                  7.4744618040           0.26997866363
                  6.7296180594          -0.42629251814
            S    1   1.00
                  2.7816640004           1.0000000
            S    1   1.00
                  0.53452175148          1.0000000
            S    1   1.00
                  0.22368793034          1.0000000
            S    1   1.00
                  0.32410407052D-01      1.0000000
            S    1   1.00
                  0.14171047424D-01      1.0000000
            P    4   1.00
                  5.6720643194           0.48114224135D-01
                  3.3320183956          -0.18485131426
                  0.80150054910          0.42811864954
                  0.36302220227          0.58673165411
            P    1   1.00
                  0.15733924392          1.0000000
            P    1   1.00
                  0.40000000000D-01      1.0000000
            P    1   1.00
                  0.16000000000D-01      1.0000000
            D    1   1.00
                  0.25907866956          0.76806746340D-01
            D    1   1.00
                  0.42507438045D-01      0.37846160487
            D    1   1.00
                  0.11909276840D-01      1.0000000
            ****
            -Sr     0
            S    2   1.00
                 10.000000000           -0.18530550262
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                  3.6199503008           0.38914432482
                  2.0232273090           0.65610817262
                  1.0367490559           0.31803551647
            P    3   1.00
                197.30030547             0.73951226905D-03
                 20.061411349            0.66168450008D-01
                  9.7631460485          -0.28554662348
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
                119.12671745             0.82596039573D-03
                 33.404240134            0.68377675770D-02
                 17.805918203           -0.10308158997D-01
                  4.8990510353           0.22670457658
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
                  2.6257211320           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
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            P    3   1.00
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                 21.725228086            0.57393353332D-01
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
                135.60300038             0.81873543290D-03
                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
                  0.27230462048D-01      1.0000000
            S    1   1.00
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            P    4   1.00
                  4.2751856154           0.45723074174D-01
                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    2   1.00
                  6.0000000000          -0.56587174838
                  4.9822082226           0.97514768535
            S    1   1.00
                  2.1451943914           1.0000000
            S    1   1.00
                  0.41486174100          1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  4.9017938336           0.67755479813
                  2.6142685062          -0.46010554954
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    3   1.00
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            D    1   1.00
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            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
                  3.20                   0.210
                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44174952534
                  4.2709780000           0.85812466843
            S    1   1.00
                  2.1823656045           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                  6.0000000000          -0.11397960924D-01
                  3.6808191615           0.14675038550
                  2.3265462081          -0.35581819167
                  0.64342629633          0.45834955229
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    3   1.00
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                  0.89395340284          0.25139922933
                  0.33095767339          0.44603267053
            D    1   1.00
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            D    1   1.00
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            ****
            -Hf     0
            S    4   1.00
                 24.000000000            0.19369448644
                 16.000000000           -3.5064630782
                 14.400000000            4.3082581000
                 10.304504667           -0.91045809742
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
                  0.42615320942          1.0000000
            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 17.000000000           -0.30316491880D-01
                 11.738072097            0.10139279686
                  4.9203967161          -0.28227924657
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  0.53272310298          0.41484423516
            D    1   1.00
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            D    1   1.00
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            ****
            -Ta     0
            S    4   1.00
                 24.473650944            0.20590322488
                 18.721372549           -0.74670795514
                 11.500000000            3.4071363897
                 10.350000000           -2.8175487609
            S    1   1.00
                  3.8436180089           1.0000000
            S    1   1.00
                  1.0202266016           1.0000000
            S    1   1.00
                  0.46774781869          1.0000000
            S    1   1.00
                  0.10323186670          1.0000000
            S    1   1.00
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            P    4   1.00
                 17.000000000           -0.32577305616D-01
                 12.008186536            0.10336287365
                  5.0278760583          -0.28526521696
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    3   1.00
                  3.9738796278          -0.52799310714D-01
                  1.4528884813           0.18558319471
                  0.61042908544          0.42959071631
            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -W     0
            S    3   1.00
                 30.000000000            0.32246483410
                 27.000000000           -0.46692257214
                 13.078045684            0.42699563776
            S    1   1.00
                  4.8100449717           1.0000000
            S    1   1.00
                  0.98497804263          1.0000000
            S    1   1.00
                  0.44910485344          1.0000000
            S    1   1.00
                  0.11448352920          1.0000000
            S    1   1.00
                  0.41720421956D-01      1.0000000
            P    4   1.00
                 17.000000000           -0.37817768433D-01
                 12.431973432            0.10905673845
                  5.1586217658          -0.29399955020
                  1.2801454812           0.51560726697
            P    1   1.00
                  0.62856790898          1.0000000
            P    1   1.00
                  0.29380423553          1.0000000
            P    1   1.00
                  0.06500000000          1.0000000
            P    1   1.00
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            D    4   1.00
                  7.4064737315           0.86993963018D-01
                  5.9026268603          -0.17667540011
                  1.2984756750           0.55145697030
                  0.57153508541          0.95313596535
            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Re     0
            S    3   1.00
                 30.000000000            0.31780717811
                 27.000000000           -0.46492321332
                 13.078045684            0.45723641305
            S    1   1.00
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            S    1   1.00
                  1.0482706438           1.0000000
            S    1   1.00
                  0.47708773413          1.0000000
            S    1   1.00
                  0.12225857255          1.0000000
            S    1   1.00
                  0.44007400609D-01      1.0000000
            P    4   1.00
                 18.000000000           -0.26890962397D-01
                 12.318606250            0.99711498502D-01
                  5.3719234505          -0.29289398145
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            P    1   1.00
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            P    1   1.00
                  0.31071385193          1.0000000
            P    1   1.00
                  0.07000000000          1.0000000
            P    1   1.00
                  0.29651190664D-01      1.0000000
            D    4   1.00
                  7.7352877672           0.83901798556D-01
                  6.0949443610          -0.17722258734
                  1.3871105497           0.55238259692
                  0.62324027854          0.91980111239
            D    1   1.00
                  0.26517328547          1.0000000
            D    1   1.00
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            F    1   1.00
                  0.4898900              1.0000000
            ****
            -Os     0
            S    3   1.00
                 30.000000000            0.32213004804
                 27.000000000           -0.47922918137
                 13.524730005            0.47465946837
            S    1   1.00
                  5.2402883472           1.0000000
            S    1   1.00
                  1.1306661245           1.0000000
            S    1   1.00
                  0.51689966917          1.0000000
            S    1   1.00
                  0.13222953545          1.0000000
            S    1   1.00
                  0.47220318801D-01      1.0000000
            P    4   1.00
                 15.500000000            0.16016463376
                 14.000000000           -0.23201520402
                  5.5458290420           0.29772587274
                  1.4139502215          -0.54253238176
            P    1   1.00
                  0.68136686765          1.0000000
            P    1   1.00
                  0.30911452647          1.0000000
            P    1   1.00
                  0.52000000000D-01      1.0000000
            P    1   1.00
                  0.20765932045D-01      1.0000000
            D    4   1.00
                  8.2945059487           0.69648222110D-01
                  6.3060397430          -0.16444229630
                  1.4890109110           0.55154541033
                  0.67315390607          0.88461370291
            D    1   1.00
                  0.28590805222          1.0000000
            D    1   1.00
                  0.11058012051          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    3   1.00
                 30.000000000            0.30797903228
                 27.000000000           -0.46726361781
                 13.961973911            0.47161003146
            S    1   1.00
                  5.3956977802           1.0000000
            S    1   1.00
                  1.2149128721           1.0000000
            S    1   1.00
                  0.55885743756          1.0000000
            S    1   1.00
                  0.14097974313          1.0000000
            S    1   1.00
                  0.50021924989D-01      1.0000000
            P    4   1.00
                 15.902664143           -0.16290720099
                 14.415830698            0.23483212987
                  5.7597608991          -0.30305337176
                  1.5008913108           0.55512982069
            P    1   1.00
                  0.72348035957          1.0000000
            P    1   1.00
                  0.32785980328          1.0000000
            P    1   1.00
                  0.56000000000D-01      1.0000000
            P    1   1.00
                  0.22945585397D-01      1.0000000
            D    4   1.00
                  8.6321692504           0.75000099949D-01
                  6.5898192302          -0.17326965173
                  1.5808379663           0.55065196913
                  0.71827834905          0.85273641436
            D    1   1.00
                  0.30571851998          1.0000000
            D    1   1.00
                  0.11827071879          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    3   1.00
                 30.000000000            0.27148263900
                 27.000000000           -0.42226758774
                 14.408318564            0.44361581995
            S    1   1.00
                  5.5335788010           1.0000000
            S    1   1.00
                  1.2986438223           1.0000000
            S    1   1.00
                  0.58759393108          1.0000000
            S    1   1.00
                  0.13845587261          1.0000000
            S    1   1.00
                  0.49204459888D-01      1.0000000
            P    4   1.00
                 15.500000000           -0.15672718629
                 14.000000000            0.23853412989
                  6.1161212339          -0.31041379733
                  1.5715586385           0.56473525089
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
                  0.57000000000D-01      1.0000000
            P    1   1.00
                  0.20441532514D-01      1.0000000
            D    4   1.00
                  8.3207937611           0.62945798646D-01
                  7.4207226520          -0.90271847072D-01
                  1.6570410639           0.16812526416
                  0.73943569960          0.25045416970
            D    1   1.00
                  0.30510856008          1.0000000
            D    1   1.00
                  0.11350405268          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    3   1.00
                 30.000000000            0.20749231108
                 27.000000000           -0.33267893394
                 14.746824331            0.38302817958
            S    1   1.00
                  5.6017248938           1.0000000
            S    1   1.00
                  1.3874162443           1.0000000
            S    1   1.00
                  0.62923031957          1.0000000
            S    1   1.00
                  0.14027517613          1.0000000
            S    1   1.00
                  0.49379413761D-01      1.0000000
            P    4   1.00
                 15.500000000            0.15001711880
                 14.000000000           -0.23609813183
                  6.4227368205           0.31458896948
                  1.6595601681          -0.57279670446
            P    1   1.00
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            P    1   1.00
                  0.35125155397          1.0000000
            P    1   1.00
                  0.11801737494          1.0000000
            P    1   1.00
                  0.45000000000D-01      1.0000000
            D    4   1.00
                  9.5524098656           0.40145559502D-01
                  7.2698886937          -0.93690906606D-01
                  1.7746496789           0.31746282317
                  0.79960541055          0.46795192483
            D    1   1.00
                  0.33252279372          1.0000000
            D    1   1.00
                  0.12445133105          1.0000000
            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    3   1.00
                 48.013786990            0.58008164912D-02
                 21.239875095           -0.17328165235
                 15.876100879            0.36416685034
            S    1   1.00
                  5.5180531820           1.0000000
            S    1   1.00
                  1.5099145479           1.0000000
            S    1   1.00
                  0.70683482159          1.0000000
            S    1   1.00
                  0.16266265576          1.0000000
            S    1   1.00
                  0.56960589112D-01      1.0000000
            P    4   1.00
                 17.500000000           -0.86457187331D-01
                 15.252594855            0.15327318234
                  6.4404715169          -0.30274955249
                  1.8180159920           0.54361285026
            P    1   1.00
                  0.90067981801          1.0000000
            P    1   1.00
                  0.41304540122          1.0000000
            P    1   1.00
                  0.11845702655          1.0000000
            P    1   1.00
                  0.60299307803D-01      1.0000000
            P    1   1.00
                  0.36087619349D-01      1.0000000
            D    4   1.00
                 10.028197701            0.39922353165D-01
                  7.5920661493          -0.94774230522D-01
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                  0.88641552102          0.45567078406
            D    1   1.00
                  0.38154235320          1.0000000
            D    1   1.00
                  0.14880740086          1.0000000
            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    4   1.00
                729.65038145             0.13672829828D-03
                 46.665548707            0.60443439951D-02
                 20.970448726           -0.20022066697
                 14.149588677            0.40801678488
            S    2   1.00
                 20.730134285           -0.71861135918D-01
                  6.1527631309           0.98057508445
            S    1   1.00
                  1.5757324480           1.0000000
            S    1   1.00
                  0.74980169458          1.0000000
            S    1   1.00
                  0.19536816194          1.0000000
            S    1   1.00
                  0.70878767298D-01      1.0000000
            S    1   1.00
                  0.21250403123D-01      1.0000000
            P    3   1.00
                 15.383852616            0.61717949180
                 14.814929544           -0.72859235151
                  6.7261253658           0.40438195364
            P    3   1.00
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                  1.0331857851           0.39230403853
                  0.53837445996          0.14007406820
            P    1   1.00
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            P    1   1.00
                  0.90785377260D-01      1.0000000
            P    1   1.00
                  0.33401321498D-01      1.0000000
            D    6   1.00
                 57.606819928            0.16054811114D-03
                  9.7368866667           0.24456562496D-01
                  6.9256201679          -0.69914775031D-01
                  2.1396230731           0.19496269490
                  1.0836187110           0.29731629705
                  0.52356298209          0.23728708102
            D    1   1.00
                  0.23842309375          1.0000000
            D    1   1.00
                  0.95000000000D-01      1.0000000
            D    1   1.00
                  0.30807799761D-01      1.0000000
            F    1   1.00
                  0.9500000              1.0000000
            F    1   1.00
                  0.2843500              1.0000000
            ****
            -Pb     0
            S    4   1.00
                591.61124370             0.22126521076D-03
                 46.757232559            0.56961959130D-02
                 20.746462696           -0.21374063831
                 14.610796419            0.40502620616
            S    2   1.00
                 20.222637612           -0.83541883299D-01
                  6.4767324865           0.97910892388
            S    1   1.00
                  1.6600600927           1.0000000
            S    1   1.00
                  0.80431655001          1.0000000
            S    1   1.00
                  0.22627039020          1.0000000
            S    1   1.00
                  0.84014530665D-01      1.0000000
            S    1   1.00
                  0.28533321717D-01      1.0000000
            P    3   1.00
                 15.189102118            0.61952303583
                 14.693144415           -0.72498497086
                  6.8705890048           0.37680007984
            P    3   1.00
                  2.2021426123           0.40196284806
                  1.2209125119           0.46058131862
                  0.63367559815          0.19367655397
            P    1   1.00
                  0.28202837058          1.0000000
            P    1   1.00
                  0.11333375666          1.0000000
            P    1   1.00
                  0.43948707430D-01      1.0000000
            D    6   1.00
                 61.315369628            0.33870800787D-03
                 12.372195840            0.13788683942D-01
                  6.9254944983          -0.75979608103D-01
                  2.3319539939           0.28113784298
                  1.2108730003           0.44474512269
                  0.60090478506          0.35326874351
            D    1   1.00
                  0.28135869813          1.0000000
            D    1   1.00
                  0.11500000000          1.0000000
            D    1   1.00
                  0.40071342706D-01      1.0000000
            F    1   1.00
                  1.0000000              1.0000000
            F    1   1.00
                  0.2896200              1.0000000
            ****
            -Bi     0
            S    4   1.00
                716.41435310             0.31254307133D-03
                 83.806059047            0.17624768946D-02
                 21.116962853           -0.21910983437
                 15.491448187            0.40411224931
            S    2   1.00
                 23.239855029           -0.68255758685D-01
                  6.6474255000           0.97888046471
            S    1   1.00
                  1.7617744005           1.0000000
            S    1   1.00
                  0.87252866000          1.0000000
            S    1   1.00
                  0.25618895997          1.0000000
            S    1   1.00
                  0.97073913006D-01      1.0000000
            S    1   1.00
                  0.35808906242D-01      1.0000000
            P    3   1.00
                 15.249644669            0.74560356000
                 14.846176053           -0.85578637338
                  7.0636826784           0.40149159592
            P    3   1.00
                  2.5881255616           0.35542729633
                  1.5020208499           0.63976991890
                  0.76732724388          0.32332773839
            P    1   1.00
                  0.32797648982          1.0000000
            P    1   1.00
                  0.13820335991          1.0000000
            P    1   1.00
                  0.55137330969D-01      1.0000000
            D    6   1.00
                 66.404481948            0.38102878348D-03
                 13.858426961            0.10746152442D-01
                  7.0654519000          -0.71947646845D-01
                  2.5252144035           0.26195974989
                  1.3419585000           0.42594750000
                  0.68340941000          0.33680325627
            D    1   1.00
                  0.32934755420          1.0000000
            D    1   1.00
                  0.14000000000          1.0000000
            D    1   1.00
                  0.50194378647D-01      1.0000000
            F    1   1.00
                  1.0500000              1.0000000
            F    1   1.00
                  0.3127100              1.0000000
            ****
            -Po     0
            S    5   1.00
               6744.8211765              0.76891556363D-04
                744.41892532             0.71284827354D-03
                131.04029309             0.22057583958D-02
                 19.662021030           -0.64364713744
                 16.623025609            0.91997150546
            S    2   1.00
                 23.094002965           -0.70404410177D-01
                  6.9707398381           0.97886540086
            S    1   1.00
                  1.8497377593           1.0000000
            S    1   1.00
                  0.93082999263          1.0000000
            S    1   1.00
                  0.28673026462          1.0000000
            S    1   1.00
                  0.10979212169          1.0000000
            S    1   1.00
                  0.35812540416D-01      1.0000000
            P    4   1.00
                  8.9027395407          -0.13798250445
                  5.7414667465           0.26304005326
                  1.9896329823           0.66225846161
                  0.94703210822          0.39547051892
            P    3   1.00
                253.99024497             0.83876362116D-04
                  9.8712718748           0.24572710458
                  7.4489893496          -0.44297763661
            P    1   1.00
                  0.37071136280          1.0000000
            P    1   1.00
                  0.15554706086          1.0000000
            P    1   1.00
                  0.61173720818D-01      1.0000000
            P    1   1.00
                  0.19437729576D-01      1.0000000
            D    6   1.00
                 67.943077046            0.48919125336D-03
                 14.914219894            0.10157120776D-01
                  7.2973948305          -0.69943263066D-01
                  2.6826784400           0.26244730680
                  1.4374143009           0.42702361494
                  0.73903797417          0.32502435477
            D    1   1.00
                  0.35838153281          1.0000000
            D    1   1.00
                  0.15000000000          1.0000000
            D    1   1.00
                  0.51710661379D-01      1.0000000
            F    1   1.00
                  1.4000000              1.0000000
            F    1   1.00
                  0.3327500              1.0000000
            ****
            -At     0
            S    5   1.00
               3635.9809356              0.12571463494D-03
                537.64129823             0.75950883820D-03
                 91.600030756            0.25790982348D-02
                 20.200005804           -0.54772187699
                 16.893873824            0.78417507786
            S    2   1.00
                 18.177216938           -0.13023627002
                  7.2317852082           0.96473566747
            S    1   1.00
                  1.9496199739           1.0000000
            S    1   1.00
                  0.99226695236          1.0000000
            S    1   1.00
                  0.31957178881          1.0000000
            S    1   1.00
                  0.12342539809          1.0000000
            S    1   1.00
                  0.40936378211D-01      1.0000000
            P    4   1.00
                  8.9484156471          -0.15012953475
                  5.9694592464           0.27048141788
                  2.1099088209           0.63671217722
                  1.0236370373           0.38057472615
            P    3   1.00
                216.81518928             0.16975297090D-03
                 10.592298115            0.22683755793
                  7.4596585430          -0.47336848377
            P    1   1.00
                  0.42186356565          1.0000000
            P    1   1.00
                  0.17757132268          1.0000000
            P    1   1.00
                  0.69670886939D-01      1.0000000
            P    1   1.00
                  0.20397906578D-01      1.0000000
            D    6   1.00
                 70.619633393            0.59974022914D-03
                 16.212096478            0.93445952839D-02
                  7.3607401479          -0.70748413897D-01
                  2.9309052592           0.24037366077
                  1.6085414823           0.41841372624
                  0.84194162715          0.32832651044
            D    1   1.00
                  0.41335677957          1.0000000
            D    1   1.00
                  0.17400000000          1.0000000
            D    1   1.00
                  0.59789898654D-01      1.0000000
            F    1   1.00
                  1.8000000              1.0000000
            F    1   1.00
                  0.3740800              1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/scratch/9104279/Gau-44966.inp" -scrdir="/scratch/9104279/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     44975.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                27-Jan-2022 
 ******************************************
 %rwf=29_neopentane_conformer02_B3LYP_def2TZVPD
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=29_neopentane_conformer02_B3LYP_def2TZVPD
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120,Tight) Polar=ROA Guess=Read CPHF=RdFreq
 ----------------------------------------------------------------------
 1/38=1,83=21,172=1/1;
 2/12=2,17=6,18=5,40=1/2;
 3/5=7,11=2,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jan 27 12:01:40 2022, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Symbolic Z-matrix:
 Charge =  0 Multiplicity = 1
 C                    -0.00002   0.00003  -0.00004 
 C                     1.15502   0.32368  -0.95514 
 C                    -0.98677  -0.94679  -0.69353 
 C                    -0.7217    1.2963    0.38711 
 C                     0.55346  -0.67319   1.26155 
 H                     0.78831   0.80512  -1.86467 
 H                     1.68779  -0.58415  -1.24761 
 H(Iso=2)              1.87461   0.99823  -0.48536 
 H(Iso=2)             -1.39696  -0.49152  -1.59796 
 H(Iso=2)             -1.82196  -1.19399  -0.03408 
 H(Iso=2)             -0.498    -1.88082  -0.98025 
 H                    -1.12694   1.79763  -0.49491 
 H                    -0.0404    1.99071   0.88422 
 H                    -1.55113   1.09438   1.06887 
 H(Iso=2)              1.07404  -1.60128   1.01424 
 H                    -0.24997  -0.91551   1.96107 
 H(Iso=2)              1.26069  -0.01899   1.77668 
 
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     17 NQM=       17 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12           1           1           2           2           2
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   2.0141018   2.0141018   2.0141018
 NucSpn=           0           0           0           0           0           1           1           2           2           2
 AtZEff=  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.2860000   0.2860000   0.2860000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   0.8574380   0.8574380   0.8574380
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17
 IAtWgt=           2           1           1           1           2           1           2
 AtmWgt=   2.0141018   1.0078250   1.0078250   1.0078250   2.0141018   1.0078250   2.0141018
 NucSpn=           2           1           1           1           2           1           2
 AtZEff=  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000
 NQMom=    0.2860000   0.0000000   0.0000000   0.0000000   0.2860000   0.0000000   0.2860000
 NMagM=    0.8574380   2.7928460   2.7928460   2.7928460   0.8574380   2.7928460   0.8574380
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Jan 27 12:01:40 2022, MaxMem=  5368709120 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.000018    0.000032   -0.000037
      2          6           0        1.155022    0.323679   -0.955136
      3          6           0       -0.986772   -0.946789   -0.693528
      4          6           0       -0.721704    1.296298    0.387111
      5          6           0        0.553456   -0.673191    1.261549
      6          1           0        0.788307    0.805116   -1.864672
      7          1           0        1.687788   -0.584146   -1.247607
      8          1           0        1.874611    0.998230   -0.485358
      9          1           0       -1.396955   -0.491517   -1.597957
     10          1           0       -1.821960   -1.193991   -0.034081
     11          1           0       -0.497996   -1.880817   -0.980249
     12          1           0       -1.126942    1.797626   -0.494914
     13          1           0       -0.040399    1.990713    0.884223
     14          1           0       -1.551128    1.094379    1.068868
     15          1           0        1.074043   -1.601281    1.014241
     16          1           0       -0.249965   -0.915510    1.961070
     17          1           0        1.260692   -0.018986    1.776681
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.533323   0.000000
     3  C    1.533324   2.503959   0.000000
     4  C    1.533304   2.503940   2.503893   0.000000
     5  C    1.533350   2.503862   2.503894   2.503909   0.000000
     6  H    2.178642   1.092482   2.755296   2.755344   3.466094
     7  H    2.178620   1.092486   2.755319   3.466125   2.755087
     8  H    2.178571   1.092483   3.466114   2.755158   2.755138
     9  H    2.178624   2.755059   1.092481   2.755493   3.466105
    10  H    2.178606   3.466134   1.092483   2.754906   2.755447
    11  H    2.178621   2.755522   1.092483   3.466090   2.754917
    12  H    2.178579   2.755301   2.755160   1.092481   3.466098
    13  H    2.178614   2.755227   3.466098   1.092478   2.755254
    14  H    2.178554   3.466096   2.755160   1.092478   2.755123
    15  H    2.178662   2.755082   2.755321   3.466116   1.092485
    16  H    2.178677   3.466098   2.755132   2.755355   1.092490
    17  H    2.178641   2.755251   3.466099   2.755135   1.092487
                    6          7          8          9         10
     6  H    0.000000
     7  H    1.766319   0.000000
     8  H    1.766312   1.766307   0.000000
     9  H    2.554949   3.105956   3.763026   0.000000
    10  H    3.763109   3.763361   4.321356   1.766298   0.000000
    11  H    3.106608   2.555482   3.763388   1.766308   1.766308
    12  H    2.555287   3.763255   3.106195   2.555345   3.105671
    13  H    3.106255   3.763141   2.555003   3.763367   3.762922
    14  H    3.763281   4.321352   3.763051   3.106572   2.554698
    15  H    3.763048   2.554839   3.105988   3.763109   3.106718
    16  H    4.321442   3.763017   3.763141   3.763247   2.555259
    17  H    3.763209   3.106145   2.555082   4.321407   3.763275
                   11         12         13         14         15
    11  H    0.000000
    12  H    3.763252   0.000000
    13  H    4.321388   1.766317   0.000000
    14  H    3.762945   1.766325   1.766299   0.000000
    15  H    2.554885   4.321395   3.763151   3.763122   0.000000
    16  H    3.105591   3.763250   3.106388   2.555133   1.766285
    17  H    3.762986   3.763113   2.555036   3.105948   1.766298
                   16         17
    16  H    0.000000
    17  H    1.766307   0.000000
 Stoichiometry    C5H12
 Framework group  C1[X(C5H12)]
 Deg. of freedom    45
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.000018    0.000032   -0.000037
      2          6           0        1.157465    0.323628   -0.952192
      3          6           0       -0.987432   -0.943042   -0.697682
      4          6           0       -0.719745    1.296836    0.388951
      5          6           0        0.549714   -0.677425    1.260918
      6          1           0        0.793439    0.808051   -1.861223
      7          1           0        1.688898   -0.584578   -1.245901
      8          1           0        1.877569    0.995535   -0.479424
      9          1           0       -1.394989   -0.484706   -1.601750
     10          1           0       -1.824355   -1.190130   -0.040396
     11          1           0       -0.500053   -1.877374   -0.985787
     12          1           0       -1.122304    1.801163   -0.492591
     13          1           0       -0.037934    1.988619    0.889031
     14          1           0       -1.550852    1.094964    1.068669
     15          1           0        1.068843   -1.605982    1.012300
     16          1           0       -0.255507   -0.919795    1.958349
     17          1           0        1.257339   -0.025950    1.778967
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           4.0468165           3.7704875           3.6505199
 Leave Link  202 at Thu Jan 27 12:01:40 2022, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       6      7      8      9     10     11     12     13     14     15
 Centers:      16     17
 S 3 1.00
     Exponent=  3.4061341000D+01 Coefficients=  6.0251978000D-03
     Exponent=  5.1235746000D+00 Coefficients=  4.5021094000D-02
     Exponent=  1.1646626000D+00 Coefficients=  2.0189726000D-01
 S 1 1.00
     Exponent=  3.2723041000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.0307241000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  9.5774129632D-02 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5
 S 6 1.00
     Exponent=  1.3575349682D+04 Coefficients=  2.2245814352D-04
     Exponent=  2.0352333680D+03 Coefficients=  1.7232738252D-03
     Exponent=  4.6322562359D+02 Coefficients=  8.9255715314D-03
     Exponent=  1.3120019598D+02 Coefficients=  3.5727984502D-02
     Exponent=  4.2853015891D+01 Coefficients=  1.1076259931D-01
     Exponent=  1.5584185766D+01 Coefficients=  2.4295627626D-01
 S 2 1.00
     Exponent=  6.2067138508D+00 Coefficients=  4.1440263448D-01
     Exponent=  2.5764896527D+00 Coefficients=  2.3744968655D-01
 S 1 1.00
     Exponent=  5.7696339419D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.2972831358D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.5164440028D-02 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.8475401370D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  3.4697232244D+01 Coefficients=  5.3333657805D-03
     Exponent=  7.9582622826D+00 Coefficients=  3.5864109092D-02
     Exponent=  2.3780826883D+00 Coefficients=  1.4215873329D-01
     Exponent=  8.1433208183D-01 Coefficients=  3.4270471845D-01
 P 1 1.00
     Exponent=  2.8887547253D-01 Coefficients=  4.6445822433D-01
 P 1 1.00
     Exponent=  1.0056823671D-01 Coefficients=  2.4955789874D-01
 D 1 1.00
     Exponent=  1.0970000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.1800000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  9.0985336424D-02 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  7.6100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   323 symmetry adapted cartesian basis functions of A   symmetry.
 There are   293 symmetry adapted basis functions of A   symmetry.
   293 basis functions,   422 primitive gaussians,   323 cartesian basis functions
    21 alpha electrons       21 beta electrons
       nuclear repulsion energy       198.5943013625 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   17 NActive=   17 NUniq=   17 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0222213832 Hartrees.
 Nuclear repulsion after empirical dispersion term =      198.5720799793 Hartrees.
 Leave Link  301 at Thu Jan 27 12:01:41 2022, MaxMem=  5368709120 cpu:               6.7 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   293 RedAO= T EigKep=  4.40D-06  NBF=   293
 NBsUse=   293 1.00D-06 EigRej= -1.00D+00 NBFU=   293
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   323   323   323   323   323 MxSgAt=    17 MxSgA2=    17.
 Leave Link  302 at Thu Jan 27 12:01:41 2022, MaxMem=  5368709120 cpu:               3.0 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jan 27 12:01:41 2022, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "29_neopentane_conformer02_B3LYP_def2TZVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jan 27 12:01:41 2022, MaxMem=  5368709120 cpu:               2.1 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368494823 LenY=  5368390053
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -197.871856917781    
 DIIS: error= 4.01D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -197.871856917781     IErMin= 1 ErrMin= 4.01D-03
 ErrMax= 4.01D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.21D-03 BMatP= 1.21D-03
 IDIUse=3 WtCom= 9.60D-01 WtEn= 4.01D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.347 Goal=   None    Shift=    0.000
 GapD=    0.347 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=7.00D-03 MaxDP=4.24D-01              OVMax= 5.96D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  7.00D-03    CP:  9.77D-01
 E= -197.872434150488     Delta-E=       -0.000577232707 Rises=F Damp=F
 DIIS: error= 4.90D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -197.872434150488     IErMin= 2 ErrMin= 4.90D-05
 ErrMax= 4.90D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.86D-07 BMatP= 1.21D-03
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.923D-02 0.101D+01
 Coeff:     -0.923D-02 0.101D+01
 Gap=     0.320 Goal=   None    Shift=    0.000
 RMSDP=3.79D-04 MaxDP=1.77D-02 DE=-5.77D-04 OVMax= 3.49D-04

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.89D-04    CP:  9.76D-01  1.05D+00
 E= -197.872435089776     Delta-E=       -0.000000939287 Rises=F Damp=F
 DIIS: error= 1.84D-05 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -197.872435089776     IErMin= 3 ErrMin= 1.84D-05
 ErrMax= 1.84D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.14D-08 BMatP= 4.86D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.215D-02 0.207D+00 0.795D+00
 Coeff:     -0.215D-02 0.207D+00 0.795D+00
 Gap=     0.320 Goal=   None    Shift=    0.000
 RMSDP=1.41D-05 MaxDP=3.51D-04 DE=-9.39D-07 OVMax= 8.15D-05

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  3.49D-06    CP:  9.76D-01  1.05D+00  1.04D+00
 E= -197.872435121437     Delta-E=       -0.000000031661 Rises=F Damp=F
 DIIS: error= 1.28D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -197.872435121437     IErMin= 4 ErrMin= 1.28D-05
 ErrMax= 1.28D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.07D-08 BMatP= 6.14D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.133D-03 0.762D-03 0.411D+00 0.588D+00
 Coeff:     -0.133D-03 0.762D-03 0.411D+00 0.588D+00
 Gap=     0.320 Goal=   None    Shift=    0.000
 RMSDP=3.26D-06 MaxDP=1.79D-04 DE=-3.17D-08 OVMax= 3.27D-05

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  9.60D-07    CP:  9.76D-01  1.05D+00  1.05D+00  9.60D-01
 E= -197.872435151482     Delta-E=       -0.000000030045 Rises=F Damp=F
 DIIS: error= 2.40D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -197.872435151482     IErMin= 5 ErrMin= 2.40D-06
 ErrMax= 2.40D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.30D-10 BMatP= 3.07D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.394D-04-0.829D-02 0.115D+00 0.211D+00 0.683D+00
 Coeff:      0.394D-04-0.829D-02 0.115D+00 0.211D+00 0.683D+00
 Gap=     0.320 Goal=   None    Shift=    0.000
 RMSDP=4.79D-07 MaxDP=1.06D-05 DE=-3.00D-08 OVMax= 5.60D-06

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.26D-07    CP:  9.76D-01  1.05D+00  1.05D+00  1.01D+00  8.90D-01
 E= -197.872435151948     Delta-E=       -0.000000000466 Rises=F Damp=F
 DIIS: error= 7.95D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -197.872435151948     IErMin= 6 ErrMin= 7.95D-07
 ErrMax= 7.95D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.53D-11 BMatP= 5.30D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.301D-04-0.512D-02 0.536D-01 0.103D+00 0.388D+00 0.460D+00
 Coeff:      0.301D-04-0.512D-02 0.536D-01 0.103D+00 0.388D+00 0.460D+00
 Gap=     0.320 Goal=   None    Shift=    0.000
 RMSDP=6.16D-08 MaxDP=2.49D-06 DE=-4.66D-10 OVMax= 1.99D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  5.19D-08    CP:  9.76D-01  1.05D+00  1.05D+00  1.00D+00  9.15D-01
                    CP:  9.74D-01
 E= -197.872435152016     Delta-E=       -0.000000000068 Rises=F Damp=F
 DIIS: error= 2.74D-08 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -197.872435152016     IErMin= 7 ErrMin= 2.74D-08
 ErrMax= 2.74D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.50D-13 BMatP= 8.53D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.819D-06 0.205D-03-0.304D-02-0.572D-02-0.186D-01 0.204D-01
 Coeff-Com:  0.101D+01
 Coeff:     -0.819D-06 0.205D-03-0.304D-02-0.572D-02-0.186D-01 0.204D-01
 Coeff:      0.101D+01
 Gap=     0.320 Goal=   None    Shift=    0.000
 RMSDP=1.32D-08 MaxDP=4.77D-07 DE=-6.79D-11 OVMax= 1.22D-07

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  4.74D-09    CP:  9.76D-01  1.05D+00  1.05D+00  1.00D+00  9.20D-01
                    CP:  1.00D+00  1.01D+00
 E= -197.872435152021     Delta-E=       -0.000000000005 Rises=F Damp=F
 DIIS: error= 1.00D-09 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -197.872435152021     IErMin= 8 ErrMin= 1.00D-09
 ErrMax= 1.00D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.54D-16 BMatP= 1.50D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.683D-07 0.135D-04-0.146D-03-0.327D-03-0.107D-02-0.122D-02
 Coeff-Com:  0.205D-01 0.982D+00
 Coeff:     -0.683D-07 0.135D-04-0.146D-03-0.327D-03-0.107D-02-0.122D-02
 Coeff:      0.205D-01 0.982D+00
 Gap=     0.320 Goal=   None    Shift=    0.000
 RMSDP=5.26D-10 MaxDP=1.61D-08 DE=-5.23D-12 OVMax= 3.22D-09

 SCF Done:  E(RB3LYP) =  -197.872435152     A.U. after    8 cycles
            NFock=  8  Conv=0.53D-09     -V/T= 2.0060
 KE= 1.966886518083D+02 PE=-8.542721892231D+02 EE= 2.611390222835D+02
 Leave Link  502 at Thu Jan 27 12:02:41 2022, MaxMem=  5368709120 cpu:             474.7 elap:              59.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   293
 NBasis=   293 NAE=    21 NBE=    21 NFC=     0 NFV=     0
 NROrb=    293 NOA=    21 NOB=    21 NVA=   272 NVB=   272

 **** Warning!!: The largest alpha MO coefficient is  0.20701460D+03

 Leave Link  801 at Thu Jan 27 12:02:41 2022, MaxMem=  5368709120 cpu:               0.2 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5151 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          17
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 9.52D-14 8.33D-09 XBig12= 1.00D+00 2.37D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 9.52D-14 8.33D-09 XBig12= 1.03D-01 8.84D-02.
     11 vectors produced by pass  2 Test12= 9.52D-14 8.33D-09 XBig12= 1.74D-02 2.27D-02.
     11 vectors produced by pass  3 Test12= 9.52D-14 8.33D-09 XBig12= 1.21D-03 8.78D-03.
     11 vectors produced by pass  4 Test12= 9.52D-14 8.33D-09 XBig12= 1.39D-05 1.31D-03.
     11 vectors produced by pass  5 Test12= 9.52D-14 8.33D-09 XBig12= 1.27D-07 7.79D-05.
     11 vectors produced by pass  6 Test12= 9.52D-14 8.33D-09 XBig12= 7.38D-10 5.09D-06.
      9 vectors produced by pass  7 Test12= 9.52D-14 8.33D-09 XBig12= 1.89D-12 3.36D-07.
      4 vectors produced by pass  8 Test12= 9.52D-14 8.33D-09 XBig12= 9.32D-15 2.18D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.49D-14
 Solved reduced A of dimension    90 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.674195D+02
      2  0.195155D-03  0.674189D+02
      3  0.369246D-03 -0.217970D-03  0.674194D+02
 Isotropic polarizability for W=    0.085645       67.42 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.431128D+00  0.191353D-01  0.154217D+01
      2   0.192836D+01 -0.119814D+01 -0.571091D+00
      3  -0.149723D+01  0.117900D+01 -0.971082D+00
      4   0.172989D-01  0.192841D+01  0.206051D+01
      5   0.154260D+01  0.206058D+01 -0.149550D+01
      6   0.206096D+01 -0.570326D+00  0.117636D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.655877D-03 -0.206807D-02  0.103240D-03
      2   0.390253D-03 -0.253082D-02 -0.961764D-03
      3  -0.173422D-03  0.456231D-02  0.299478D-02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.667115D-04  0.765123D-03  0.264494D-02
      2  -0.427110D-03 -0.449358D-03  0.172976D-02
      3  -0.183639D-02 -0.533615D-04  0.382646D-03
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.248654D-03  0.461705D-03  0.118615D-03
      2   0.461705D-03  0.105711D-02 -0.690586D-03
      3   0.118615D-03 -0.690586D-03 -0.149769D-02
 OR G Eigenvalues:    -0.0017     0.0001     0.0014  Iso=     0.0001
 Eigenvectors:
   (1)  -0.119941   0.260069   0.958112
   (2)   0.929303  -0.310143   0.200519
   (3)   0.349300   0.914426  -0.204484
 w=    0.085645 a.u., Optical Rotation Beta=      0.0001 au.
 Molar Mass =     72.1498 grams/mole, [Alpha] ( 5320.0 A) =        0.04 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   43071 ScalPx= 9.26D+00
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   43071 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 5.52D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.59D-14 2.78D-09 XBig12= 1.00D+00 5.42D-01.
     30 vectors produced by pass  1 Test12= 1.59D-14 2.78D-09 XBig12= 6.41D-03 1.70D-02.
     30 vectors produced by pass  2 Test12= 1.59D-14 2.78D-09 XBig12= 1.11D-03 6.11D-03.
     30 vectors produced by pass  3 Test12= 1.59D-14 2.78D-09 XBig12= 2.17D-05 1.35D-03.
     30 vectors produced by pass  4 Test12= 1.59D-14 2.78D-09 XBig12= 4.12D-07 1.34D-04.
     30 vectors produced by pass  5 Test12= 1.59D-14 2.78D-09 XBig12= 9.77D-10 6.33D-06.
     17 vectors produced by pass  6 Test12= 1.59D-14 2.78D-09 XBig12= 3.48D-12 3.88D-07.
      1 vectors produced by pass  7 Test12= 1.59D-14 2.78D-09 XBig12= 3.89D-15 1.57D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.66D-15
 Solved reduced A of dimension   198 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   43071 ScalPx= 7.17D+02
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   43071 ScalPx= 7.17D+02
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   43071 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 5.38D+02
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.674195D+02  0.195155D-03  0.369246D-03
      2   0.195155D-03  0.674189D+02 -0.217970D-03
      3   0.369246D-03 -0.217970D-03  0.674194D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.655877D-03 -0.206807D-02  0.103240D-03
      2   0.390253D-03 -0.253082D-02 -0.961764D-03
      3  -0.173422D-03  0.456231D-02  0.299478D-02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.431128D+00  0.191353D-01  0.154217D+01
      2   0.192836D+01 -0.119814D+01 -0.571091D+00
      3  -0.149723D+01  0.117900D+01 -0.971082D+00
      4   0.172989D-01  0.192841D+01  0.206051D+01
      5   0.154260D+01  0.206058D+01 -0.149550D+01
      6   0.206096D+01 -0.570326D+00  0.117636D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    51 ND12= 1 LenFil=    1839:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.119518D+01  0.737460D-01  0.435140D+01  0.752527D-01  0.543294D+01
      2   0.737460D-01  0.542786D+01  0.582204D+01  0.543294D+01 -0.337801D+01
      3   0.435140D+01  0.582204D+01 -0.421930D+01  0.581225D+01 -0.161805D+01
                 6             7             8             9            10 
      1   0.581225D+01  0.434832D+01  0.581604D+01 -0.421546D+01 -0.864082D+00
      2  -0.161805D+01  0.581604D+01 -0.161797D+01  0.331145D+01 -0.527088D-01
      3   0.331375D+01 -0.421546D+01  0.331145D+01 -0.271738D+01 -0.289536D+01
                11            12            13            14            15 
      1  -0.527088D-01 -0.289536D+01  0.295598D+00 -0.498900D+01 -0.422588D+01
      2  -0.370933D+01 -0.422734D+01 -0.498900D+01  0.142001D+01  0.218840D+01
      3  -0.422734D+01  0.361593D+01 -0.422588D+01  0.218840D+01 -0.199984D+01
                16            17            18            19            20 
      1  -0.393985D+01 -0.422494D+01  0.233899D+01  0.255614D+01  0.293140D+00
      2  -0.422494D+01  0.114216D+01 -0.235594D+01  0.293140D+00 -0.429131D+01
      3   0.233899D+01 -0.235594D+01  0.357263D+01 -0.266404D+01 -0.449381D+01
                21            22            23            24            25 
      1  -0.266404D+01 -0.738706D+00 -0.320626D+01 -0.449379D+01 -0.342952D+01
      2  -0.449381D+01 -0.320626D+01  0.401348D+01  0.139078D+01 -0.449301D+01
      3   0.253642D+01 -0.449379D+01  0.139078D+01 -0.249602D+01  0.362525D+01
                26            27            28            29            30 
      1  -0.449301D+01  0.362525D+01  0.238409D+01 -0.104978D+01 -0.321246D+01
      2   0.616941D+00 -0.146040D+01 -0.104978D+01 -0.464564D+01 -0.423308D+01
      3  -0.146040D+01  0.337890D+01 -0.321246D+01 -0.423308D+01  0.283758D+01
                31            32            33            34            35 
      1   0.375749D+00 -0.385187D+01 -0.423391D+01 -0.279087D+01 -0.423486D+01
      2  -0.385187D+01  0.801262D+00  0.119420D+01 -0.423486D+01  0.162535D+01
      3  -0.423391D+01  0.119420D+01 -0.224253D+01  0.363691D+01 -0.366956D+01
                36            37            38            39            40 
      1   0.363691D+01 -0.510233D+00  0.620568D+00 -0.414850D+01 -0.126938D+00
      2  -0.366956D+01  0.620568D+00 -0.348329D+01 -0.433743D+01 -0.409887D+01
      3   0.837251D+00 -0.414850D+01 -0.433743D+01  0.354821D+01 -0.433622D+01
                41            42            43            44            45 
      1  -0.409887D+01 -0.433622D+01 -0.276101D+01 -0.433759D+01  0.293517D+01
      2   0.378330D+01  0.362621D-01 -0.433759D+01  0.142668D+01 -0.236408D+01
      3   0.362621D-01 -0.311898D+01  0.293517D+01 -0.236408D+01  0.300701D+00
                46            47            48            49            50 
      1  -0.668802D+00  0.457375D+00 -0.658203D+00  0.679294D+00  0.280775D+00
      2   0.457375D+00 -0.531096D+00  0.108071D+01  0.280775D+00  0.193484D+01
      3  -0.658203D+00  0.108071D+01 -0.232075D+01  0.355857D+00 -0.221148D+01
                51            52            53            54            55 
      1   0.355857D+00 -0.100005D+01  0.402590D+00 -0.342115D+00  0.333143D+01
      2  -0.221148D+01  0.402590D+00 -0.207972D+01  0.264516D+01 -0.188746D+01
      3   0.285903D+01 -0.342115D+00  0.264516D+01 -0.733316D+01 -0.107068D+01
                56            57            58            59            60 
      1  -0.188746D+01 -0.107068D+01 -0.335268D+01  0.296906D+01  0.185220D+01
      2   0.215479D+01  0.106604D+01  0.296906D+01 -0.457278D+01 -0.183229D+01
      3   0.106604D+01  0.858786D+00  0.185220D+01 -0.183229D+01 -0.194227D+01
                61            62            63            64            65 
      1  -0.692446D+00  0.986483D+00  0.975095D+00  0.516724D+01  0.249870D+01
      2   0.986483D+00 -0.114357D+01 -0.959741D+00  0.249870D+01  0.245286D+01
      3   0.975095D+00 -0.959741D+00 -0.179434D+01  0.882291D+00  0.741688D+00
                66            67            68            69            70 
      1   0.882291D+00  0.314939D+01  0.296173D+01  0.681022D+00  0.259619D+01
      2   0.741688D+00  0.296173D+01  0.321615D+01  0.381907D+00  0.149434D+01
      3   0.808581D+00  0.681022D+00  0.381907D+00  0.118262D+01  0.843428D+00
                71            72            73            74            75 
      1   0.149434D+01  0.843428D+00 -0.238885D+01  0.329254D+00 -0.171081D+01
      2   0.131571D+01  0.100633D+01  0.329254D+00 -0.268521D+00  0.673753D+00
      3   0.100633D+01  0.883196D+00 -0.171081D+01  0.673753D+00 -0.224813D+01
                76            77            78            79            80 
      1   0.138687D+01 -0.375690D+00  0.146814D+01 -0.219249D+01  0.603794D+00
      2  -0.375690D+00  0.804150D+00 -0.123625D+01  0.603794D+00 -0.140361D+01
      3   0.146814D+01 -0.123625D+01  0.246074D+01 -0.303143D+01  0.911680D+00
                81            82            83            84            85 
      1  -0.303143D+01 -0.636175D+01 -0.199582D+01  0.197332D+01 -0.119941D+01
      2   0.911680D+00 -0.199582D+01 -0.137838D+01  0.872417D+00 -0.113039D+01
      3  -0.666106D+01  0.197332D+01  0.872417D+00 -0.189401D+01  0.802524D+00
                86            87            88            89            90 
      1  -0.113039D+01  0.802524D+00  0.366728D+01  0.162127D+01 -0.214280D+01
      2  -0.160385D+01  0.496457D+00  0.162127D+01  0.139213D+01 -0.670027D+00
      3   0.496457D+00 -0.323992D+00 -0.214280D+01 -0.670027D+00  0.188637D+01
                91            92            93            94            95 
      1   0.100720D+01 -0.126484D+01 -0.246777D+00 -0.138712D+01  0.117693D+01
      2  -0.126484D+01  0.313338D+01  0.128136D+01  0.117693D+01 -0.771077D+01
      3  -0.246777D+00  0.128136D+01  0.807226D+00  0.562061D+00 -0.226144D+01
                96            97            98            99           100 
      1   0.562061D+00 -0.173913D+00  0.605352D+00  0.199386D-01 -0.211429D+01
      2  -0.226144D+01  0.605352D+00 -0.170118D+01 -0.143559D+01  0.148522D+01
      3  -0.159483D+01  0.199386D-01 -0.143559D+01 -0.158941D+01 -0.103016D+01
               101           102           103           104           105 
      1   0.148522D+01 -0.103016D+01  0.110997D+01 -0.105932D+01  0.108265D+01
      2  -0.109072D+01  0.115167D+01 -0.105932D+01  0.314439D+01 -0.183091D+01
      3   0.115167D+01 -0.153220D+01  0.108265D+01 -0.183091D+01  0.184818D+01
               106           107           108           109           110 
      1  -0.189401D+01  0.190116D+01 -0.199410D+01  0.208715D+01  0.185748D+01
      2   0.190116D+01 -0.348095D+01  0.270581D+01  0.185748D+01  0.373323D+01
      3  -0.199410D+01  0.270581D+01 -0.417730D+01  0.133184D+01  0.173055D+01
               111           112           113           114           115 
      1   0.133184D+01  0.143971D+01  0.181527D+01  0.100649D+01  0.125856D+01
      2   0.173055D+01  0.181527D+01  0.496776D+01  0.185750D+01  0.106204D+01
      3   0.138349D+01  0.100649D+01  0.185750D+01  0.176908D+01  0.624294D+00
               116           117           118           119           120 
      1   0.106204D+01  0.624294D+00 -0.571755D+01  0.647461D+00  0.308792D+01
      2   0.228044D+01  0.219449D+01  0.647461D+00 -0.913997D+00  0.307052D-02
      3   0.219449D+01  0.213323D+01  0.308792D+01  0.307052D-02 -0.281523D+01
               121           122           123           124           125 
      1  -0.942897D+00 -0.352662D+00  0.797693D+00  0.331388D+01 -0.743070D-01
      2  -0.352662D+00 -0.282099D+00  0.429340D+00 -0.743070D-01  0.935989D+00
      3   0.797693D+00  0.429340D+00 -0.448971D+00 -0.292551D+01  0.658755D+00
               126           127           128           129           130 
      1  -0.292551D+01  0.251620D+01 -0.225587D+01  0.500807D+00 -0.240321D+01
      2   0.658755D+00 -0.225587D+01  0.293793D+01  0.143239D+00  0.312554D+01
      3   0.341314D+01  0.500807D+00  0.143239D+00  0.489416D+00  0.782564D-01
               131           132           133           134           135 
      1   0.312554D+01  0.782564D-01 -0.466716D+00  0.899968D+00  0.197652D+00
      2  -0.697520D+01  0.413229D+00  0.899968D+00 -0.135195D+01 -0.553963D+00
      3   0.413229D+00 -0.114478D+01  0.197652D+00 -0.553963D+00 -0.397455D+00
               136           137           138           139           140 
      1  -0.322213D+01 -0.102428D+01  0.276076D+01 -0.661148D+00 -0.483562D+00
      2  -0.102428D+01 -0.121847D+01  0.159286D+01 -0.483562D+00 -0.140217D+01
      3   0.276076D+01  0.159286D+01 -0.419923D+01  0.869677D+00  0.122172D+01
               141           142           143           144           145 
      1   0.869677D+00  0.211875D+01  0.921186D+00 -0.229899D+01  0.399340D+01
      2   0.122172D+01  0.921186D+00  0.109162D+01 -0.120935D+01  0.126782D+01
      3  -0.875026D+00 -0.229899D+01 -0.120935D+01  0.500228D+01  0.274865D+01
               146           147           148           149           150 
      1   0.126782D+01  0.274865D+01  0.230028D+01  0.178539D+01  0.192098D+01
      2   0.169070D+01  0.113225D+01  0.178539D+01  0.183954D+01  0.138062D+01
      3   0.113225D+01  0.234323D+01  0.192098D+01  0.138062D+01  0.275384D+01
               151           152           153 
      1   0.203790D+01  0.105048D+01  0.175369D+01
      2   0.105048D+01  0.951935D+00  0.124496D+01
      3   0.175369D+01  0.124496D+01  0.326240D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.113695D-01  0.417597D-02  0.205170D-02 -0.384547D-02 -0.193214D-01
      2   0.115722D-01  0.140964D-01  0.479544D+01  0.135844D-01  0.263167D-02
      3  -0.226582D-01 -0.478431D+01 -0.176572D-02  0.479373D+01 -0.197781D-01
                 6             7             8             9            10 
      1  -0.478348D+01  0.216093D-01  0.477582D+01 -0.125484D-01  0.117582D+01
      2   0.809905D-02 -0.478844D+01 -0.819037D-02  0.135099D-02 -0.710617D+01
      3   0.192373D-02  0.100542D-02 -0.452129D-02 -0.142718D-01 -0.986090D+00
                11            12            13            14            15 
      1   0.673632D+01  0.369634D+01  0.850284D+01 -0.184051D+01 -0.432557D+01
      2  -0.621832D+01  0.328143D+01 -0.573826D+01 -0.263472D+01 -0.784377D+01
      3   0.439080D+01  0.504152D+01  0.100744D+02 -0.313444D+01 -0.587274D+01
                16            17            18            19            20 
      1   0.430045D+01  0.665497D+00  0.689072D+00 -0.323063D+01 -0.204301D+01
      2  -0.367088D+01 -0.843797D+01  0.970853D+01  0.658457D+01  0.625013D+01
      3   0.455543D+01 -0.411099D+01  0.413498D+01 -0.432661D+01 -0.723280D+01
                21            22            23            24            25 
      1   0.733758D+01 -0.314543D+01 -0.305026D+01 -0.544335D+01  0.882128D+01
      2  -0.376574D+01  0.520461D+01 -0.429280D+01 -0.156641D+01 -0.946655D+01
      3  -0.302014D+01 -0.888836D+00  0.101143D+02  0.743454D+01 -0.197026D+01
                26            27            28            29            30 
      1   0.127408D+00  0.627419D+01  0.447286D+01  0.459680D+01 -0.710358D+01
      2  -0.305447D+01 -0.231301D+01  0.110339D+01  0.466414D+01  0.485361D+00
      3   0.633703D+01 -0.576318D+01  0.460402D+01 -0.873611D+01 -0.913643D+01
                31            32            33            34            35 
      1   0.505621D+01 -0.244944D+01  0.354159D+01 -0.860080D+01  0.984729D+01
      2   0.386379D+01  0.762021D+00  0.464680D+01 -0.396345D+01  0.614410D+01
      3  -0.184608D+01 -0.707105D+01 -0.581773D+01 -0.833249D+01 -0.536322D+01
                36            37            38            39            40 
      1  -0.200227D+01 -0.239978D+01 -0.928595D+01 -0.394278D+01 -0.103978D+02
      2  -0.184511D+01 -0.595067D+00 -0.471970D+01  0.117418D+02 -0.334914D+01
      3   0.246509D+01  0.727876D+00 -0.171328D+00  0.712205D+01  0.442067D+01
                41            42            43            44            45 
      1   0.735778D+01 -0.554391D+01 -0.455411D+01  0.111704D+01 -0.496592D+01
      2   0.615795D+01  0.477404D+01  0.534937D+01  0.537184D+01 -0.555726D+01
      3   0.962621D-01  0.424167D+01  0.576347D+01  0.313535D+01 -0.822070D+00
                46            47            48            49            50 
      1  -0.296309D+00  0.906692D+00  0.929117D-01 -0.369900D+00 -0.223206D+01
      2  -0.271159D+01  0.177032D+01 -0.238509D+01  0.277427D+01 -0.249763D+01
      3  -0.140189D+01 -0.660889D-01 -0.147498D+01  0.144792D+01 -0.204910D+01
                51            52            53            54            55 
      1  -0.113582D+00 -0.406606D+00  0.415877D+01  0.720295D+00  0.252170D+01
      2   0.445863D+01 -0.518694D+01  0.432312D+01 -0.997233D+01  0.252264D+01
      3   0.286445D+01 -0.232391D+01  0.288574D+01 -0.391833D+01  0.272792D+01
                56            57            58            59            60 
      1  -0.383146D+01 -0.723327D+00 -0.359580D+01  0.691379D+01  0.537764D-01
      2  -0.572451D+00  0.167295D+01 -0.201685D+01  0.908196D+00 -0.192338D+01
      3  -0.575858D+01 -0.194586D+01 -0.247934D+01  0.904208D+01  0.269018D+01
                61            62            63            64            65 
      1  -0.157095D+01  0.287648D+01  0.991758D+00 -0.323304D+01 -0.292136D+01
      2  -0.819565D+00  0.555081D-01 -0.162208D+01  0.629861D+01  0.414878D+01
      3  -0.139514D+01  0.276994D+01  0.152030D+01 -0.468198D+00 -0.478906D+01
                66            67            68            69            70 
      1  -0.256872D+01 -0.332339D+01 -0.308945D+01 -0.302152D+01 -0.171960D+01
      2   0.474101D+01  0.419559D+01  0.385452D+01  0.423899D+01  0.232467D+01
      3  -0.917825D+00 -0.839474D+00 -0.428982D+01 -0.525336D+00 -0.221433D+00
                71            72            73            74            75 
      1  -0.799241D+00 -0.228894D+01 -0.205593D+01  0.207482D+01 -0.328791D+01
      2   0.287845D+01  0.321918D+01 -0.800399D+00 -0.641486D+00  0.286270D+01
      3  -0.207596D+01 -0.116009D+01  0.244541D+01 -0.208256D+01  0.269299D+01
                76            77            78            79            80 
      1   0.148211D+01 -0.315339D+01  0.248890D+01 -0.369178D+01  0.554137D+01
      2   0.520674D+00  0.124239D+01 -0.212168D+01 -0.107643D+01 -0.942236D+00
      3  -0.492529D+00  0.200623D+01 -0.272205D+01  0.262161D+01 -0.388149D+01
                81            82            83            84            85 
      1  -0.752148D+01  0.398627D+01  0.118221D+01 -0.402995D+01  0.179456D+01
      2   0.616925D+01 -0.652270D+01 -0.253008D+01  0.703360D+01 -0.206297D+01
      3   0.463599D+01  0.523453D+01 -0.200596D+01 -0.145329D+01  0.144042D+01
                86            87            88            89            90 
      1   0.130026D+01 -0.179070D+01 -0.334553D+01 -0.894839D-02  0.331316D+01
      2  -0.132554D+01  0.176424D+01  0.367029D+01  0.158804D+01 -0.553429D+01
      3  -0.108085D+01 -0.473409D+00 -0.266235D+01  0.128289D+01  0.175838D+01
                91            92            93            94            95 
      1   0.856739D+00 -0.146944D+01  0.960621D+00 -0.587354D+00  0.447964D+01
      2   0.164145D+01 -0.219827D+01  0.171926D+00 -0.297561D+01  0.378449D+01
      3  -0.394480D+01  0.349636D+01  0.134373D+01  0.665566D+01 -0.964382D+01
                96            97            98            99           100 
      1  -0.282380D+01 -0.538607D+00  0.117973D+01 -0.120263D+01  0.204068D+01
      2   0.173924D+01 -0.125101D+01  0.195648D+01  0.136347D+01  0.910509D+00
      3  -0.319360D+01  0.176129D+01 -0.289135D+01 -0.142265D+01 -0.231564D+01
               101           102           103           104           105 
      1  -0.178203D+01  0.398412D+01 -0.235868D+01  0.322982D+01 -0.573791D+01
      2  -0.160202D+01  0.315049D+01 -0.756424D+00  0.206517D+01 -0.301410D+01
      3  -0.160085D+00 -0.435253D+00  0.247692D+01  0.141706D+01  0.298781D+00
               106           107           108           109           110 
      1   0.357186D+01 -0.277947D+01  0.927586D+01 -0.130740D+01 -0.603321D-01
      2   0.156794D+00 -0.274640D+01  0.561911D+01 -0.302823D+01 -0.205286D+01
      3  -0.252582D+01 -0.101328D+01 -0.827083D+00  0.633041D+01  0.369745D+01
               111           112           113           114           115 
      1  -0.255374D+01 -0.935865D+00  0.108551D+00 -0.408471D+01 -0.519896D+00
      2  -0.239893D+00 -0.266334D+01 -0.249180D+01 -0.136129D+01 -0.261915D+01
      3   0.335874D+01  0.645725D+01  0.604257D+01  0.342479D+01  0.431833D+01
               116           117           118           119           120 
      1  -0.636500D+00 -0.292057D+01 -0.458316D+01 -0.212451D+01  0.472145D+01
      2  -0.210703D+01 -0.126736D+01  0.117214D+01 -0.352208D+00  0.345966D+01
      3   0.314085D+01  0.263018D+01 -0.798203D+01 -0.285541D+01  0.493197D+01
               121           122           123           124           125 
      1  -0.105230D+01 -0.122279D+01 -0.652838D-01  0.432450D+01  0.176278D+01
      2   0.793953D-01 -0.234870D+00  0.329364D+00 -0.927801D+00 -0.407814D+00
      3  -0.495549D+00 -0.135460D+01  0.128435D+01  0.540371D+01  0.251169D+01
               126           127           128           129           130 
      1  -0.462551D+01 -0.280375D+01  0.492132D+01  0.208693D+01  0.479454D+01
      2  -0.275428D+01 -0.299914D+01  0.329577D+01  0.131820D+01  0.374649D+01
      3  -0.392426D+01 -0.158116D+01 -0.171395D+01 -0.498816D+00  0.266312D+01
               131           132           133           134           135 
      1  -0.987024D+01 -0.390967D+01  0.114913D+01 -0.122233D+01 -0.188223D+01
      2  -0.459382D+01 -0.246462D+01 -0.194207D+00 -0.137460D+01 -0.100318D+01
      3   0.308542D+01 -0.203743D+00  0.299375D+00  0.403353D+00  0.226082D+00
               136           137           138           139           140 
      1   0.749785D+00 -0.202052D+01 -0.151173D+01  0.173428D+00 -0.143502D+01
      2   0.844297D+01  0.212851D+01 -0.424684D+01  0.230577D+01  0.121758D+01
      3   0.399067D+01 -0.526015D+00 -0.287700D+01  0.181122D+01  0.674892D+00
               141           142           143           144           145 
      1  -0.227862D+00 -0.477787D+00  0.278978D+01  0.252218D+01  0.411753D+01
      2  -0.182466D+01 -0.746275D+01 -0.222411D+01  0.553039D+01 -0.492484D+01
      3  -0.138655D+01 -0.322087D+01 -0.492185D+00  0.270725D+01 -0.303089D+01
               146           147           148           149           150 
      1   0.511629D+01  0.283973D+01  0.396695D+01  0.497376D+01  0.207607D+01
      2  -0.138549D+01 -0.365958D+00 -0.314159D+01 -0.192377D+01  0.160506D+00
      3  -0.441136D+01 -0.272814D+01 -0.148870D+01 -0.383669D+01 -0.204606D+01
               151           152           153 
      1   0.323595D+01  0.431352D+01  0.363410D+01
      2  -0.378480D+01 -0.101340D+01  0.258152D+00
      3  -0.207195D+01 -0.263385D+01 -0.222630D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.472877D+01 -0.337036D+01  0.304449D+01 -0.333912D+01 -0.187001D+01
      2  -0.189512D+01  0.357648D+01 -0.142271D+01  0.357097D+01  0.166372D+01
      3  -0.283366D+01 -0.206117D+00 -0.162178D+01 -0.231844D+00  0.206294D+00
      4  -0.339466D+01 -0.280379D+01 -0.970773D+00 -0.276550D+01  0.358925D+01
      5   0.302047D+01 -0.977030D+00 -0.374948D+01 -0.971405D+00 -0.140845D+01
      6  -0.975714D+00 -0.143601D+01 -0.225112D+00 -0.141095D+01 -0.416201D+01
                 6             7             8             9            10 
      1  -0.951605D+00  0.308390D+01 -0.940598D+00 -0.285236D+01 -0.629193D+01
      2  -0.413665D+01 -0.142750D+01 -0.411174D+01  0.190456D+00 -0.366400D+01
      3   0.508826D+01 -0.165640D+01  0.505234D+01  0.266191D+01  0.995593D+01
      4  -0.140948D+01 -0.955079D+00 -0.144338D+01 -0.274452D+00 -0.138955D+01
      5  -0.229839D+00 -0.371861D+01 -0.258175D+00 -0.166189D+01 -0.596639D+01
      6  -0.676800D+00 -0.271964D+00 -0.694992D+00  0.505414D+01 -0.423497D+01
                11            12            13            14            15 
      1  -0.426570D+01 -0.256103D+01 -0.448183D+01 -0.840072D+01 -0.145965D+02
      2  -0.649678D+01  0.360590D+01 -0.555721D+01  0.520743D+01  0.190559D+01
      3   0.107625D+02 -0.104488D+01  0.100390D+02  0.319329D+01  0.126909D+02
      4  -0.131636D+02 -0.104011D+02 -0.138530D+02  0.230063D+01  0.174296D+01
      5  -0.898927D+01  0.623277D+01 -0.967853D+01  0.720798D+01  0.298672D+01
      6   0.457201D+01  0.872718D+01  0.492079D+01 -0.367394D+01 -0.732417D+01
                16            17            18            19            20 
      1  -0.273018D+01 -0.148039D+02  0.143653D+02 -0.948929D+01 -0.905164D+01
      2   0.312258D+01  0.254597D+01 -0.115265D+01  0.296471D+01  0.603636D+01
      3  -0.392398D+00  0.122579D+02 -0.132126D+02  0.652458D+01  0.301529D+01
      4  -0.112943D+02  0.938758D+00 -0.110550D+01 -0.416035D+01  0.173265D+01
      5   0.639938D+01  0.246241D+01 -0.617318D+00  0.510883D+01  0.754033D+01
      6   0.746883D+01 -0.737624D+01  0.808257D+01  0.675759D+01  0.110504D+02
                21            22            23            24            25 
      1   0.558806D+01 -0.918979D+01  0.144719D+02  0.964737D+01  0.606955D+01
      2   0.904496D+01  0.516025D+01 -0.149284D+02 -0.112164D+02  0.827819D+01
      3  -0.146330D+02  0.402954D+01  0.456498D+00  0.156907D+01 -0.143477D+02
      4   0.114479D+02  0.246526D+01  0.303995D+01  0.496958D+01  0.121303D+02
      5  -0.625511D+01  0.764055D+01  0.417364D+01  0.818677D+01 -0.717700D+01
      6   0.206961D+00  0.101561D+02 -0.775185D+01 -0.176549D+01  0.261285D+00
                26            27            28            29            30 
      1   0.102236D+02 -0.507643D+01 -0.368926D+01  0.743202D+01  0.112327D+02
      2  -0.113117D+02  0.119155D+02  0.523350D+01 -0.950166D+01 -0.173711D+02
      3   0.108813D+01 -0.683907D+01 -0.154424D+01  0.206965D+01  0.613836D+01
      4   0.510884D+01  0.627898D+00  0.284130D+01 -0.622610D+00 -0.213077D+01
      5   0.723230D+01 -0.964256D+01  0.684527D+01  0.327480D+01 -0.106943D+02
      6  -0.108866D+01  0.661255D+00 -0.557989D+01 -0.136305D+02  0.458736D+01
                31            32            33            34            35 
      1   0.750488D+01  0.572530D+01  0.596314D+01  0.116873D+02  0.516779D+01
      2  -0.914106D+01 -0.271027D+01  0.267972D-01 -0.172167D+02 -0.478406D-01
      3   0.163618D+01 -0.301502D+01 -0.598994D+01  0.552947D+01 -0.511995D+01
      4  -0.285804D+00 -0.107630D+02 -0.118567D+02 -0.162752D+01 -0.125565D+02
      5   0.457574D+01 -0.696074D+01  0.117207D+01 -0.108459D+02  0.211838D+01
      6  -0.127690D+02  0.253937D+01 -0.948826D+01  0.509926D+01 -0.991224D+01
                36            37            38            39            40 
      1  -0.189886D+01  0.282375D+01  0.191029D+01 -0.106080D+02  0.213336D+01
      2  -0.300756D+01  0.435744D+01  0.142803D+02  0.301579D+01  0.138927D+02
      3   0.490642D+01 -0.718119D+01 -0.161906D+02  0.759216D+01 -0.160261D+02
      4   0.844856D+01 -0.127981D+01 -0.791959D+01 -0.529054D-01 -0.836973D+01
      5   0.250586D+00 -0.232674D+01 -0.295363D+01 -0.103994D+02 -0.369099D+01
      6   0.277407D+01  0.193176D+01 -0.369134D+01 -0.138582D+02 -0.401952D+01
                41            42            43            44            45 
      1  -0.292583D+01 -0.217229D+01 -0.113989D+02 -0.174779D+01  0.360998D+00
      2  -0.785467D+01  0.430990D+01  0.411826D+01  0.380859D+01  0.365264D+01
      3   0.107805D+02 -0.213761D+01  0.728061D+01 -0.206080D+01 -0.401364D+01
      4   0.972393D+01  0.342900D+01 -0.351745D+00  0.482735D+01 -0.824095D+01
      5  -0.612705D+01 -0.126824D+02 -0.954799D+01 -0.121060D+02  0.807682D+01
      6   0.390786D+01  0.106902D+01 -0.131115D+02  0.883219D+00 -0.536279D+01
                46            47            48            49            50 
      1  -0.160324D+01  0.334430D+01 -0.579409D+01  0.285313D+01 -0.633041D+01
      2  -0.527916D+00 -0.103493D+01 -0.151926D+01 -0.815693D+00  0.249325D+01
      3   0.213116D+01 -0.230937D+01  0.731335D+01 -0.203744D+01  0.383716D+01
      4  -0.692824D+00  0.233101D+01 -0.275752D+00  0.364424D+01  0.245023D+01
      5   0.277383D+01 -0.815008D+00  0.320055D+01 -0.162274D+01 -0.285515D+01
      6  -0.196570D+01  0.288168D+01 -0.389935D+01  0.206545D+00 -0.928406D+01
                51            52            53            54            55 
      1   0.982972D+01 -0.428502D+01  0.946919D+01 -0.207629D+02  0.134713D+02
      2  -0.110044D+00  0.114813D+01 -0.163228D+00 -0.106941D+02 -0.764920D+01
      3  -0.971968D+01  0.313689D+01 -0.930596D+01  0.314570D+02 -0.582209D+01
      4  -0.299195D+01 -0.719350D+00 -0.368244D+01  0.387280D+01 -0.836759D+01
      5   0.393027D+01  0.542996D+01  0.328074D+01 -0.970579D+01 -0.996698D+01
      6   0.122244D+02 -0.135033D+01  0.118936D+02 -0.160805D+02  0.499092D+01
                56            57            58            59            60 
      1  -0.623578D+01 -0.315974D+01 -0.902720D+01  0.326274D+01  0.144081D+01
      2   0.482643D+01  0.414002D+01  0.597578D+01  0.507504D+00 -0.393703D+01
      3   0.140935D+01 -0.980283D+00  0.305142D+01 -0.377025D+01  0.249622D+01
      4   0.108559D+02  0.429213D+01  0.124185D+02 -0.159105D+02 -0.529877D+01
      5   0.709606D+01  0.724970D+01  0.102883D+02 -0.806059D+01 -0.887117D+01
      6  -0.544047D+01 -0.346442D+01 -0.662361D+01  0.122347D+02  0.764067D+01
                61            62            63            64            65 
      1  -0.198359D+01  0.173642D+01 -0.124558D+01  0.233037D+02  0.955396D+01
      2   0.380347D+01 -0.299001D+01 -0.390674D+01 -0.646478D+01  0.816357D+00
      3  -0.181988D+01  0.125360D+01  0.515231D+01 -0.168389D+02 -0.103703D+02
      4   0.363922D+01 -0.373188D+01 -0.371504D+01  0.155458D+02  0.139155D+02
      5   0.708097D+01 -0.577670D+01 -0.702665D+01 -0.186023D+01 -0.929860D-01
      6  -0.400282D+01  0.670111D+01  0.333530D+01 -0.167762D+01 -0.299351D+01
                66            67            68            69            70 
      1   0.429382D+01  0.108057D+02  0.526184D+01  0.319458D+01  0.823417D+01
      2  -0.164034D+00  0.876646D+00  0.592189D+01  0.171558D+01 -0.211209D+01
      3  -0.412979D+01 -0.116823D+02 -0.111837D+02 -0.491016D+01 -0.612208D+01
      4   0.354902D+01  0.152498D+02  0.144392D+02  0.231284D+01  0.630140D+01
      5   0.462769D+01 -0.979717D+00 -0.107928D+01  0.357321D+01  0.369534D+01
      6   0.485763D+00 -0.266321D+01 -0.198334D+01  0.335636D+01  0.629533D+00
                71            72            73            74            75 
      1   0.341804D+01  0.151359D+01  0.755762D+01 -0.642468D+00  0.360200D+01
      2   0.210624D+01 -0.230944D+00 -0.841368D+01  0.181979D+01 -0.897461D+01
      3  -0.552428D+01 -0.128265D+01  0.856064D+00 -0.117733D+01  0.537261D+01
      4   0.534992D+01  0.373147D+01  0.134975D+01  0.288401D+01 -0.586573D+00
      5   0.266258D+01  0.442887D+01  0.102282D+02 -0.291735D+01  0.131867D+02
      6   0.232473D+01  0.108614D+01  0.299110D+00  0.346267D+00  0.218767D+01
                76            77            78            79            80 
      1  -0.252176D+01 -0.148406D+01 -0.545126D+00  0.386531D+01 -0.173911D+01
      2   0.346852D+01 -0.970699D+00  0.716334D+01 -0.104326D+02  0.592416D+01
      3  -0.946765D+00  0.245476D+01 -0.661821D+01  0.656731D+01 -0.418505D+01
      4   0.224338D+01 -0.359138D+01  0.284705D+01  0.396601D+00  0.369627D+01
      5  -0.579641D+01  0.330595D+01 -0.688127D+01  0.147271D+02 -0.341148D+01
      6   0.669462D+00 -0.241050D+01  0.357240D+01  0.227154D+01  0.485005D+01
                81            82            83            84            85 
      1  -0.340126D+01  0.269228D+02  0.600482D+01 -0.819672D+01  0.426930D+01
      2  -0.196192D+02 -0.833132D+01  0.140987D+01  0.704298D+00  0.182314D+01
      3   0.230205D+02 -0.185915D+02 -0.741468D+01  0.749242D+01 -0.609244D+01
      4  -0.265853D-01  0.177531D+02  0.107989D+02 -0.609915D+01  0.962388D+01
      5   0.217226D+02 -0.398618D+01 -0.145003D+01  0.747347D+01 -0.114240D+01
      6   0.453983D+01 -0.397851D+01 -0.192298D+01  0.450040D+01 -0.253720D+01
                86            87            88            89            90 
      1   0.929192D+00 -0.193183D+01 -0.116958D+02 -0.212727D+01  0.508312D+01
      2   0.448394D+01 -0.275704D+00  0.250439D+01 -0.161149D+01 -0.310670D+01
      3  -0.541314D+01  0.220754D+01  0.919145D+01  0.373877D+01 -0.197642D+01
      4   0.682467D+01 -0.412710D+01 -0.940163D+01 -0.704200D+01  0.473575D+01
      5  -0.188982D+01  0.645438D+00  0.738051D+01  0.161155D+01 -0.670182D+01
      6  -0.444363D+00  0.316395D+01  0.444347D+01  0.320115D+01 -0.571696D+01
                91            92            93            94            95 
      1  -0.188987D+01  0.826056D+01  0.251558D+01  0.653938D+01 -0.227832D+02
      2   0.372948D+01 -0.102130D+02 -0.208005D+01 -0.607308D+01  0.332931D+02
      3  -0.183961D+01  0.195246D+01 -0.435528D+00 -0.466300D+00 -0.105099D+02
      4  -0.371242D+01  0.414286D+01  0.310956D+00  0.556740D+01  0.458840D+01
      5  -0.301108D+01  0.181394D+01  0.215177D+01  0.234638D+01 -0.282149D+00
      6   0.229533D+01 -0.631494D+01 -0.460463D+01 -0.327671D+01  0.182485D+02
                96            97            98            99           100 
      1  -0.830219D+01  0.128928D+01 -0.739151D+01 -0.515777D+01  0.469003D+01
      2   0.728083D+01 -0.179166D+01  0.606354D+01  0.214170D+01  0.322404D+00
      3   0.102136D+01  0.502382D+00  0.132797D+01  0.301608D+01 -0.501243D+01
      4   0.121205D+01  0.103951D+00  0.115532D+01  0.280104D+00 -0.902045D+01
      5   0.634336D+00  0.292100D+01 -0.242609D+00  0.148133D+01  0.359979D+01
      6   0.112863D+02 -0.193448D+01  0.105989D+02  0.710335D+01 -0.376727D+01
               101           102           103           104           105 
      1  -0.183682D+01  0.120725D+01 -0.108807D+01 -0.571926D+01  0.175839D+01
      2  -0.325206D+01  0.260161D+01 -0.366450D+01  0.141073D+02 -0.688268D+01
      3   0.508888D+01 -0.380886D+01  0.475258D+01 -0.838802D+01  0.512429D+01
      4   0.887131D+01 -0.566211D+01  0.809847D+01 -0.927908D+01  0.710568D+01
      5  -0.327930D+01  0.682404D+01 -0.251560D+01  0.428163D+01 -0.375684D+01
      6   0.455687D+01 -0.532368D+01  0.482825D+01 -0.816499D+01  0.100522D+02
               106           107           108           109           110 
      1   0.208905D+01  0.377007D+01 -0.266478D+01 -0.263093D+01 -0.875020D+01
      2   0.255368D+01 -0.103929D+02  0.325322D+01  0.430100D+01  0.131432D+02
      3  -0.464273D+01  0.662283D+01 -0.588446D+00 -0.167006D+01 -0.439301D+01
      4  -0.867570D+01  0.102041D+02 -0.803109D+01  0.900037D+01  0.754801D+01
      5   0.724961D+01 -0.503160D+01  0.939709D+01  0.297951D+01  0.187621D+01
      6  -0.625543D+01  0.117674D+02 -0.158510D+02  0.539479D+01  0.852540D+01
               111           112           113           114           115 
      1  -0.556068D+01 -0.652186D+01 -0.162838D+02 -0.805447D+01 -0.483761D+01
      2   0.424444D+01  0.842459D+01  0.244995D+02  0.782686D+01  0.388769D+01
      3   0.131625D+01 -0.190273D+01 -0.821571D+01  0.227612D+00  0.949915D+00
      4   0.397982D+01  0.721368D+01  0.516946D+01  0.303854D+01  0.411977D+01
      5   0.366944D+01  0.131589D+01  0.154872D+01 -0.587494D-01  0.413822D+01
      6   0.673020D+01  0.579660D+01  0.131827D+02  0.111575D+02  0.387463D+01
               116           117           118           119           120 
      1  -0.898672D+01 -0.734671D+01  0.192055D+02  0.344373D+00 -0.762097D+01
      2   0.860468D+01  0.414218D+01 -0.138918D+02 -0.248191D+01  0.990581D+01
      3   0.382040D+00  0.320453D+01 -0.531375D+01  0.213754D+01 -0.228484D+01
      4   0.271320D+01  0.160558D+01 -0.122764D+02  0.626281D+01  0.651273D+01
      5   0.561339D+00  0.125234D+01 -0.162316D+02  0.952950D+00  0.136156D+02
      6   0.122827D+02  0.103012D+02  0.688583D+01 -0.177679D+01 -0.700857D+01
               121           122           123           124           125 
      1   0.277324D+01  0.712852D+00 -0.131780D+01 -0.797955D+01 -0.173147D+01
      2  -0.312703D+01 -0.629967D+00  0.304362D+01  0.102139D+02  0.285228D+01
      3   0.353785D+00 -0.828847D-01 -0.172581D+01 -0.223438D+01 -0.112081D+01
      4   0.365783D+01  0.766536D+00 -0.127618D+01  0.747807D+01 -0.262640D+01
      5  -0.182849D+01 -0.192164D+01  0.148549D+01  0.139249D+02 -0.138773D+01
      6  -0.860907D+00  0.569277D-01  0.303851D+01 -0.638698D+01  0.505167D+01
               126           127           128           129           130 
      1   0.198569D+01  0.504843D+01 -0.221288D+01 -0.222949D+00 -0.228825D+01
      2  -0.891604D+01  0.177791D+01 -0.724261D+01 -0.123102D+01 -0.749028D+01
      3   0.693035D+01 -0.682634D+01  0.945550D+01  0.145397D+01  0.977853D+01
      4  -0.618918D+01 -0.106900D+02  0.129789D+02 -0.455542D+00  0.133344D+02
      5  -0.133810D+02  0.483990D+01 -0.385405D+01  0.432872D+01 -0.491643D+01
      6   0.724043D+01 -0.416683D+01  0.643491D+01 -0.133039D+01  0.620063D+01
               131           132           133           134           135 
      1  -0.648390D+01  0.258148D+01 -0.108348D+01  0.531299D+00 -0.572298D+00
      2   0.240306D+02  0.119297D+01 -0.103528D+01  0.393353D+01  0.151670D+01
      3  -0.175467D+02 -0.377445D+01  0.211876D+01 -0.446483D+01 -0.944400D+00
      4  -0.183564D+02  0.539993D+00  0.222706D+01 -0.245708D+01 -0.169567D+01
      5   0.586625D+01 -0.213960D+01  0.266151D+01 -0.100594D+01 -0.108427D+01
      6  -0.137299D+02  0.616779D+01 -0.583245D+00  0.346897D+01  0.799029D+00
               136           137           138           139           140 
      1  -0.241328D+01 -0.363368D+01  0.916651D+01 -0.262857D+01 -0.375133D+01
      2  -0.425182D+01  0.433087D+00  0.548890D+01 -0.230247D+00  0.247389D+01
      3   0.666510D+01  0.320059D+01 -0.146554D+02  0.285882D+01  0.127744D+01
      4   0.649842D+01  0.449783D+01 -0.416245D+01  0.444218D+01  0.962998D+00
      5  -0.127591D+02 -0.301555D+01  0.113881D+02 -0.206316D+01 -0.218086D+01
      6  -0.534790D+01 -0.677372D+01  0.918024D+01 -0.395350D+01 -0.625917D+01
               141           142           143           144           145 
      1   0.486793D+01  0.727590D+01  0.525657D+01 -0.143923D+02  0.101486D+02
      2  -0.127986D+01  0.289266D+01 -0.616566D+00 -0.972637D+01 -0.125432D+02
      3  -0.358807D+01 -0.101686D+02 -0.464000D+01  0.241186D+02  0.239456D+01
      4  -0.248264D+01 -0.356116D+01 -0.185015D+01  0.403440D+01  0.199556D+01
      5   0.289571D+01  0.102799D+02  0.329274D+01 -0.894832D+01  0.167129D+02
      6   0.817926D+01  0.630438D+01  0.810032D+01 -0.114406D+02  0.313907D+01
               146           147           148           149           150 
      1   0.314947D+01  0.307419D+01  0.420735D+01  0.722725D+00 -0.141145D+01
      2  -0.611906D+01 -0.998920D+01 -0.709322D+01 -0.169626D+01 -0.662735D+01
      3   0.296958D+01  0.691501D+01  0.288587D+01  0.973530D+00  0.803880D+01
      4   0.510886D+01  0.704354D+00  0.473448D+01  0.404538D+01  0.224546D+01
      5   0.578971D+01  0.145691D+02  0.903900D+01  0.638157D+01  0.910983D+01
      6   0.561274D+01  0.310854D+01  0.533662D+01  0.769382D+01  0.576579D+01
               151           152           153 
      1   0.239950D+01 -0.104482D+00 -0.288375D+01
      2  -0.850737D+01 -0.459332D+01 -0.113983D+02
      3   0.610788D+01  0.469780D+01  0.142821D+02
      4   0.190085D+00  0.139603D+01  0.194191D+01
      5   0.128207D+02  0.599842D+01  0.121604D+02
      6   0.354401D+01  0.536727D+01  0.347431D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jan 27 12:19:59 2022, MaxMem=  5368709120 cpu:            8294.1 elap:            1038.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.18078 -10.15509 -10.15509 -10.15508 -10.15507
 Alpha  occ. eigenvalues --   -0.82247  -0.68484  -0.68484  -0.68483  -0.53406
 Alpha  occ. eigenvalues --   -0.45006  -0.45006  -0.45005  -0.40214  -0.40213
 Alpha  occ. eigenvalues --   -0.36489  -0.36489  -0.36489  -0.32304  -0.32304
 Alpha  occ. eigenvalues --   -0.32303
 Alpha virt. eigenvalues --   -0.00300   0.03464   0.03464   0.03464   0.06277
 Alpha virt. eigenvalues --    0.06277   0.06277   0.06959   0.09511   0.09511
 Alpha virt. eigenvalues --    0.12284   0.12284   0.12285   0.12760   0.12760
 Alpha virt. eigenvalues --    0.12760   0.15240   0.15240   0.17478   0.17479
 Alpha virt. eigenvalues --    0.17479   0.19034   0.21870   0.21870   0.21870
 Alpha virt. eigenvalues --    0.22916   0.23843   0.23843   0.23843   0.25418
 Alpha virt. eigenvalues --    0.25418   0.25419   0.27480   0.27689   0.27689
 Alpha virt. eigenvalues --    0.27689   0.28872   0.28873   0.30842   0.30843
 Alpha virt. eigenvalues --    0.30843   0.32294   0.32294   0.32295   0.33318
 Alpha virt. eigenvalues --    0.33319   0.33844   0.33844   0.33844   0.37220
 Alpha virt. eigenvalues --    0.37221   0.37221   0.38511   0.38512   0.38512
 Alpha virt. eigenvalues --    0.39425   0.41018   0.41018   0.43994   0.44056
 Alpha virt. eigenvalues --    0.44056   0.44057   0.46453   0.46453   0.46453
 Alpha virt. eigenvalues --    0.46935   0.48079   0.48079   0.48079   0.48460
 Alpha virt. eigenvalues --    0.48460   0.48461   0.51049   0.51050   0.51050
 Alpha virt. eigenvalues --    0.57130   0.57131   0.59636   0.59638   0.61086
 Alpha virt. eigenvalues --    0.61087   0.61087   0.63010   0.63011   0.63011
 Alpha virt. eigenvalues --    0.63649   0.65226   0.65299   0.65302   0.67074
 Alpha virt. eigenvalues --    0.67075   0.67076   0.70546   0.70546   0.70547
 Alpha virt. eigenvalues --    0.71409   0.71410   0.71410   0.71876   0.77530
 Alpha virt. eigenvalues --    0.77531   0.77709   0.77711   0.77712   0.78308
 Alpha virt. eigenvalues --    0.78309   0.78309   0.78576   0.86479   0.86480
 Alpha virt. eigenvalues --    0.86480   0.90773   0.90773   0.90775   1.00031
 Alpha virt. eigenvalues --    1.00032   1.04173   1.04174   1.04174   1.06042
 Alpha virt. eigenvalues --    1.06042   1.06042   1.21687   1.21689   1.23203
 Alpha virt. eigenvalues --    1.23205   1.23205   1.27970   1.27973   1.27974
 Alpha virt. eigenvalues --    1.33232   1.33233   1.33234   1.36290   1.54075
 Alpha virt. eigenvalues --    1.54076   1.54076   1.55283   1.55286   1.63127
 Alpha virt. eigenvalues --    1.71947   1.73127   1.73128   1.73129   1.82056
 Alpha virt. eigenvalues --    1.82057   1.82058   1.84459   1.84462   1.88452
 Alpha virt. eigenvalues --    1.88455   1.88456   1.89692   1.89692   1.89693
 Alpha virt. eigenvalues --    1.92311   1.97134   1.97135   1.97136   2.07041
 Alpha virt. eigenvalues --    2.07041   2.07043   2.10312   2.10314   2.10316
 Alpha virt. eigenvalues --    2.15194   2.15198   2.26524   2.26526   2.26528
 Alpha virt. eigenvalues --    2.27267   2.35085   2.36350   2.36355   2.36355
 Alpha virt. eigenvalues --    2.45186   2.45187   2.45189   2.49133   2.49138
 Alpha virt. eigenvalues --    2.58449   2.58450   2.58450   2.60900   2.60905
 Alpha virt. eigenvalues --    2.60907   2.63406   2.63410   2.66210   2.66214
 Alpha virt. eigenvalues --    2.66215   2.71811   2.74361   2.74362   2.74363
 Alpha virt. eigenvalues --    2.74757   2.74758   2.74759   2.91303   2.91306
 Alpha virt. eigenvalues --    2.94585   2.94588   2.94589   2.98928   3.03601
 Alpha virt. eigenvalues --    3.03602   3.03602   3.12793   3.12795   3.12796
 Alpha virt. eigenvalues --    3.24561   3.24562   3.24563   3.32289   3.32656
 Alpha virt. eigenvalues --    3.32657   3.32659   3.40780   3.40781   3.40781
 Alpha virt. eigenvalues --    3.41523   3.42060   3.42063   3.43936   3.43937
 Alpha virt. eigenvalues --    3.43940   3.54140   3.54143   3.54145   3.62953
 Alpha virt. eigenvalues --    3.62954   3.71897   3.71899   3.71901   3.73965
 Alpha virt. eigenvalues --    3.75252   3.75257   3.80020   3.80023   3.80024
 Alpha virt. eigenvalues --    4.17586   4.17589   4.17592   4.20026   4.20030
 Alpha virt. eigenvalues --    4.20050   4.20053   4.20054   4.27353   4.27354
 Alpha virt. eigenvalues --    4.27355   4.47262   4.47263   4.47265   4.62235
 Alpha virt. eigenvalues --    4.62236   4.62238   4.66364   4.66365   4.67708
 Alpha virt. eigenvalues --    4.81941   4.81943   4.81951   5.03513   5.13861
 Alpha virt. eigenvalues --    5.13864   5.13865  22.57503  22.62861  22.62862
 Alpha virt. eigenvalues --   22.62863  22.89469
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.320199  -0.418976  -0.418963  -0.419061  -0.418835  -0.013438
     2  C   -0.418976   6.952441   0.010252   0.010148   0.010290   0.381877
     3  C   -0.418963   0.010252   6.952473   0.010330   0.010032  -0.022722
     4  C   -0.419061   0.010148   0.010330   6.952421   0.010235  -0.022735
     5  C   -0.418835   0.010290   0.010032   0.010235   6.952309   0.010548
     6  H   -0.013438   0.381877  -0.022722  -0.022735   0.010548   0.322591
     7  H   -0.013457   0.381914  -0.022712   0.010541  -0.022699   0.011654
     8  H   -0.013437   0.381882   0.010551  -0.022715  -0.022729   0.011647
     9  H   -0.013426  -0.022750   0.381864  -0.022707   0.010548   0.013802
    10  H   -0.013434   0.010548   0.381876  -0.022733  -0.022708  -0.003211
    11  H   -0.013459  -0.022693   0.381926   0.010541  -0.022725  -0.010116
    12  H   -0.013423  -0.022702  -0.022718   0.381852   0.010549   0.013806
    13  H   -0.013452  -0.022736   0.010554   0.381910  -0.022712  -0.010122
    14  H   -0.013458   0.010565  -0.022730   0.381894  -0.022731  -0.003211
    15  H   -0.013463  -0.022745  -0.022711   0.010542   0.381932  -0.003214
    16  H   -0.013417   0.010550  -0.022743  -0.022700   0.381869   0.000736
    17  H   -0.013424  -0.022721   0.010554  -0.022727   0.381866  -0.003214
               7          8          9         10         11         12
     1  C   -0.013457  -0.013437  -0.013426  -0.013434  -0.013459  -0.013423
     2  C    0.381914   0.381882  -0.022750   0.010548  -0.022693  -0.022702
     3  C   -0.022712   0.010551   0.381864   0.381876   0.381926  -0.022718
     4  C    0.010541  -0.022715  -0.022707  -0.022733   0.010541   0.381852
     5  C   -0.022699  -0.022729   0.010548  -0.022708  -0.022725   0.010549
     6  H    0.011654   0.011647   0.013802  -0.003211  -0.010116   0.013806
     7  H    0.322622   0.011663  -0.010120  -0.003214   0.013804  -0.003214
     8  H    0.011663   0.322593  -0.003218   0.000735  -0.003208  -0.010118
     9  H   -0.010120  -0.003218   0.322600   0.011646   0.011655   0.013809
    10  H   -0.003214   0.000735   0.011646   0.322590   0.011660  -0.010124
    11  H    0.013804  -0.003208   0.011655   0.011660   0.322616  -0.003216
    12  H   -0.003214  -0.010118   0.013809  -0.010124  -0.003216   0.322612
    13  H   -0.003212   0.013803  -0.003210  -0.003218   0.000735   0.011655
    14  H    0.000736  -0.003214  -0.010120   0.013804  -0.003210   0.011649
    15  H    0.013804  -0.010120  -0.003210  -0.010114   0.013802   0.000735
    16  H   -0.003215  -0.003214  -0.003217   0.013805  -0.010122  -0.003212
    17  H   -0.010120   0.013805   0.000736  -0.003208  -0.003218  -0.003214
              13         14         15         16         17
     1  C   -0.013452  -0.013458  -0.013463  -0.013417  -0.013424
     2  C   -0.022736   0.010565  -0.022745   0.010550  -0.022721
     3  C    0.010554  -0.022730  -0.022711  -0.022743   0.010554
     4  C    0.381910   0.381894   0.010542  -0.022700  -0.022727
     5  C   -0.022712  -0.022731   0.381932   0.381869   0.381866
     6  H   -0.010122  -0.003211  -0.003214   0.000736  -0.003214
     7  H   -0.003212   0.000736   0.013804  -0.003215  -0.010120
     8  H    0.013803  -0.003214  -0.010120  -0.003214   0.013805
     9  H   -0.003210  -0.010120  -0.003210  -0.003217   0.000736
    10  H   -0.003218   0.013804  -0.010114   0.013805  -0.003208
    11  H    0.000735  -0.003210   0.013802  -0.010122  -0.003218
    12  H    0.011655   0.011649   0.000735  -0.003212  -0.003214
    13  H    0.322604   0.011649  -0.003211  -0.010118   0.013804
    14  H    0.011649   0.322587  -0.003213   0.013804  -0.010120
    15  H   -0.003211  -0.003213   0.322598   0.011654   0.011647
    16  H   -0.010118   0.013804   0.011654   0.322621   0.011658
    17  H    0.013804  -0.010120   0.011647   0.011658   0.322604
 Mulliken charges:
               1
     1  C    2.516925
     2  C   -1.605144
     3  C   -1.605111
     4  C   -1.605036
     5  C   -1.605038
     6  H    0.325322
     7  H    0.325226
     8  H    0.325294
     9  H    0.325317
    10  H    0.325300
    11  H    0.325228
    12  H    0.325276
    13  H    0.325279
    14  H    0.325319
    15  H    0.325286
    16  H    0.325263
    17  H    0.325293
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    2.516925
     2  C   -0.629301
     3  C   -0.629266
     4  C   -0.629162
     5  C   -0.629196
 Electronic spatial extent (au):  <R**2>=            485.0945
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0000    Y=             -0.0000    Z=             -0.0000  Tot=              0.0000
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -35.9564   YY=            -35.9563   ZZ=            -35.9563
   XY=             -0.0000   XZ=              0.0000   YZ=             -0.0000
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.0001   YY=              0.0001   ZZ=              0.0000
   XY=             -0.0000   XZ=              0.0000   YZ=             -0.0000
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -0.3937  YYY=             -1.0994  ZZZ=             -0.8889  XYY=              1.7701
  XXY=              0.0190  XXZ=              1.4171  XZZ=             -1.3763  YZZ=              1.0801
  YYZ=             -0.5283  XYZ=              1.8971
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -236.2330 YYYY=           -235.4834 ZZZZ=           -235.7084 XXXY=              0.8125
 XXXZ=             -0.7411 YYYX=             -0.8728 YYYZ=              1.0088 ZZZX=              0.3962
 ZZZY=             -1.2411 XXYY=            -77.7614 XXZZ=            -77.5300 YYZZ=            -78.2635
 XXYZ=              0.2321 YYXZ=              0.3451 ZZXY=              0.0602
 N-N= 1.985720799793D+02 E-N=-8.542721894355D+02  KE= 1.966886518083D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jan 27 12:19:59 2022, MaxMem=  5368709120 cpu:               1.8 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 3.97290698D-06-2.40208712D-06-2.94381930D-06
 Polarizability= 6.33545600D+01 1.19950014D-04 6.33541331D+01
                 3.32805357D-04-2.65587194D-04 6.33545491D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0003   -0.0002       -0.0009    0.0001
 2     -0.0003    0.0002        0.0011    0.0001       -0.0019   -0.0003
 3      0.0009   -0.0001       -0.0001    0.0001       -0.0015   -0.0001
 4     -0.0011   -0.0001       -0.0000    0.0000        0.0013   -0.0001
 5      0.0020    0.0002       -0.0013    0.0001        0.0005   -0.0002
 6      0.0015    0.0001       -0.0005    0.0002       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0006    0.0006        0.0003    0.0003
 2     -0.0003   -0.0003       -0.0000    0.0000        0.0003    0.0003
 3     -0.0003   -0.0003        0.0006    0.0006       -0.0000    0.0000
 4      0.0006    0.0006        0.0003    0.0003       -0.0009   -0.0009
 5     -0.0003   -0.0003        0.0002    0.0002       -0.0003   -0.0003
 6      0.0007    0.0007        0.0003    0.0003       -0.0006   -0.0006
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0441    0.0000        0.0272    0.0007       -0.0378   -0.0004
 2      0.0413   -0.0007        0.0490   -0.0004       -0.0119    0.0012
 3      0.0607    0.0004        0.0152   -0.0003       -0.0127    0.0004
 4     -0.0321    0.0004       -0.0002    0.0000       -0.0185    0.0004
 5     -0.0124   -0.0009       -0.0305   -0.0004       -0.0364    0.0007
 6      0.0093   -0.0004       -0.0078   -0.0007       -0.0068    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0098    0.0000       -0.0204   -0.0001       -0.0140    0.0017
 2     -0.0739    0.0001        0.0329    0.0036       -0.0147    0.0037
 3      0.0119   -0.0017       -0.0121    0.0073        0.0091   -0.0036
 4     -0.0002   -0.0036        0.0188    0.0000       -0.0124   -0.0017
 5      0.0348   -0.0111       -0.0350    0.0017        0.0361   -0.0001
 6      0.0019    0.0036        0.0179    0.0001        0.0398    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      3.3862    3.4256        1.1312    1.1591        2.2187    2.1129
 2      3.4020    3.4239        1.1106    1.1599        2.1901    2.1129
 3      3.3890    3.4239        1.1185    1.1591        2.1995    2.1133
 4     -0.1090   -0.0008        0.0376    0.0017        0.0249    0.0010
 5      0.0493    0.0003       -0.0249    0.0006       -0.0349   -0.0017
 6      0.0978   -0.0017       -0.0132   -0.0003        0.0214    0.0008
 Full mass-weighted force constant matrix:
 Low frequencies ---   -6.9934   -4.9461   -2.3058   -0.0004    0.0001    0.0004
 Low frequencies ---  162.3199  204.7520  232.1821
 Diagonal vibrational polarizability:
        0.7232579       0.7231567       0.7231639
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --    162.3188               204.7519               232.1819
 Red. masses --      1.6732                 1.8410                 1.4416
 Frc consts  --      0.0260                 0.0455                 0.0458
 IR Inten    --      0.0000                 0.0001                 0.0003
 RamAct Fr= 1--      0.0009                 0.0041                 0.0039
  Dep-P Fr= 1--      0.7448                 0.7482                 0.7464
  Dep-U Fr= 1--      0.8537                 0.8559                 0.8548
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0001                 0.0006                 0.0006
 AlphaG Fr= 1--      0.0000                 0.0000                 0.0000
 Gamma2 Fr= 1--      0.0000                 0.0008                -0.0012
 Delta2 Fr= 1--      0.0002                -0.0021                 0.0027
 Raman1 Fr= 1--       0.004                  0.016                  0.016
 ROA1   Fr= 1--       0.007                  0.008                 -0.025
 CID1   Fr= 1--       2.009                  0.485                 -1.615
 Raman2 Fr= 1--       0.002                  0.007                  0.007
 ROA2   Fr= 1--      -0.002                  0.036                 -0.049
 CID2   Fr= 1--      -1.158                  5.070                 -7.320
 Raman3 Fr= 1--       0.003                  0.014                  0.013
 ROA3   Fr= 1--       0.007                  0.008                 -0.025
 CID3   Fr= 1--       2.354                  0.567                 -1.889
 RC180  Fr= 1--       0.707                  0.712                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01     0.01  -0.01   0.00
     2   6    -0.02   0.01  -0.01     0.01  -0.04  -0.00    -0.00  -0.02  -0.01
     3   6    -0.01   0.00  -0.00    -0.02   0.01  -0.00    -0.02   0.02  -0.00
     4   6    -0.00  -0.01   0.02     0.02   0.01  -0.02     0.04   0.00   0.02
     5   6     0.02  -0.01  -0.02    -0.02   0.01   0.01    -0.00  -0.03  -0.00
     6   1    -0.00   0.23   0.10     0.05   0.10   0.06    -0.07  -0.45  -0.21
     7   1    -0.16  -0.01  -0.21    -0.12  -0.08  -0.12     0.29   0.03   0.36
     8   1     0.11  -0.18   0.07     0.12  -0.19   0.05    -0.24   0.37  -0.20
     9   1     0.27  -0.14  -0.20    -0.29   0.16   0.20     0.04   0.02  -0.03
    10   1    -0.20   0.30  -0.13     0.17  -0.26   0.13    -0.06   0.09  -0.02
    11   1    -0.11  -0.15   0.33     0.05   0.14  -0.32    -0.07  -0.02   0.04
    12   1    -0.19  -0.10   0.06    -0.03  -0.03  -0.02     0.16   0.09   0.01
    13   1     0.05   0.07  -0.15     0.05   0.03  -0.09     0.04  -0.08   0.13
    14   1     0.13  -0.00   0.18     0.06   0.04   0.04    -0.04   0.01  -0.08
    15   1     0.28   0.15  -0.06     0.33   0.21  -0.00     0.21   0.10  -0.04
    16   1    -0.00  -0.29  -0.13    -0.07  -0.33  -0.17    -0.04  -0.26  -0.12
    17   1    -0.20   0.11   0.14    -0.33   0.18   0.22    -0.20   0.06   0.15
                      4                      5                      6
                      A                      A                      A
 Frequencies --    264.9361               300.0860               304.0493
 Red. masses --      1.0698                 2.5810                 2.4928
 Frc consts  --      0.0442                 0.1369                 0.1358
 IR Inten    --      0.0000                 0.0005                 0.0008
 RamAct Fr= 1--      0.0062                 0.9401                 1.0175
  Dep-P Fr= 1--      0.7324                 0.7498                 0.7499
  Dep-U Fr= 1--      0.8456                 0.8570                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0009                 0.1343                 0.1453
 AlphaG Fr= 1--     -0.0000                 0.0000                -0.0000
 Gamma2 Fr= 1--      0.0002                -0.0028                 0.0026
 Delta2 Fr= 1--     -0.0007                -0.0030                 0.0011
 Raman1 Fr= 1--       0.025                  3.761                  4.070
 ROA1   Fr= 1--      -0.005                 -0.369                  0.290
 CID1   Fr= 1--      -0.201                 -0.098                  0.071
 Raman2 Fr= 1--       0.010                  1.611                  1.744
 ROA2   Fr= 1--       0.010                 -0.044                  0.054
 CID2   Fr= 1--       0.922                 -0.028                  0.031
 Raman3 Fr= 1--       0.021                  3.223                  3.488
 ROA3   Fr= 1--      -0.005                 -0.369                  0.290
 CID3   Fr= 1--      -0.238                 -0.115                  0.083
 RC180  Fr= 1--       0.691                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.01  -0.02   0.03    -0.00  -0.03  -0.00
     2   6    -0.01  -0.00  -0.01    -0.06  -0.13  -0.07     0.10  -0.06   0.12
     3   6    -0.01  -0.01   0.02     0.03   0.05  -0.13    -0.11   0.09  -0.01
     4   6    -0.01  -0.00   0.00    -0.02  -0.07   0.14    -0.13  -0.08  -0.07
     5   6     0.02   0.02  -0.01     0.03   0.12   0.09     0.14   0.03  -0.03
     6   1    -0.00   0.12   0.05    -0.12  -0.23  -0.10     0.27  -0.12   0.02
     7   1    -0.11  -0.02  -0.13    -0.15  -0.20  -0.02     0.17  -0.07   0.28
     8   1     0.07  -0.12   0.03     0.04  -0.12  -0.23     0.01  -0.03   0.22
     9   1     0.01  -0.04  -0.01     0.20   0.21  -0.13    -0.09   0.23   0.06
    10   1    -0.02   0.04   0.01    -0.08  -0.02  -0.31    -0.12   0.21   0.02
    11   1    -0.02  -0.03   0.06     0.06   0.09  -0.22    -0.30   0.02  -0.10
    12   1     0.46   0.27  -0.05    -0.11   0.01   0.23    -0.18  -0.20  -0.11
    13   1    -0.15  -0.22   0.49    -0.02  -0.10   0.18    -0.25   0.05  -0.09
    14   1    -0.35  -0.07  -0.43     0.04  -0.18   0.18    -0.13  -0.17  -0.09
    15   1     0.08   0.05  -0.01     0.03   0.08   0.28     0.19   0.07  -0.09
    16   1     0.04  -0.03  -0.01     0.05   0.27   0.17     0.27  -0.01   0.10
    17   1    -0.01   0.06  -0.01     0.03   0.24  -0.06     0.19   0.10  -0.19
                      7                      8                      9
                      A                      A                      A
 Frequencies --    376.4392               378.5761               391.3537
 Red. masses --      2.4591                 2.4131                 2.2897
 Frc consts  --      0.2053                 0.2038                 0.2066
 IR Inten    --      0.0328                 0.0659                 0.0409
 RamAct Fr= 1--      0.1554                 0.1915                 0.2233
  Dep-P Fr= 1--      0.7170                 0.7491                 0.7470
  Dep-U Fr= 1--      0.8352                 0.8566                 0.8552
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0216                 0.0273                 0.0318
 AlphaG Fr= 1--     -0.0000                 0.0000                -0.0000
 Gamma2 Fr= 1--      0.0041                -0.0054                 0.0051
 Delta2 Fr= 1--      0.0109                -0.0031                -0.0050
 Raman1 Fr= 1--       0.622                  0.766                  0.893
 ROA1   Fr= 1--       0.737                 -0.617                  0.330
 CID1   Fr= 1--       1.186                 -0.806                  0.369
 Raman2 Fr= 1--       0.260                  0.328                  0.382
 ROA2   Fr= 1--       0.011                 -0.105                  0.163
 CID2   Fr= 1--       0.041                 -0.319                  0.427
 Raman3 Fr= 1--       0.519                  0.656                  0.764
 ROA3   Fr= 1--       0.737                 -0.617                  0.330
 CID3   Fr= 1--       1.420                 -0.941                  0.432
 RC180  Fr= 1--       0.670                  0.713                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.12  -0.09  -0.04    -0.08  -0.09  -0.06     0.02   0.07  -0.13
     2   6     0.04   0.12  -0.09    -0.02   0.06   0.09     0.15  -0.03  -0.03
     3   6    -0.04   0.03   0.02    -0.10  -0.11  -0.08    -0.01  -0.02   0.03
     4   6     0.04  -0.16  -0.05     0.16   0.00   0.03    -0.04  -0.04   0.14
     5   6    -0.04   0.00   0.10     0.02   0.08  -0.02    -0.09   0.08  -0.11
     6   1    -0.13   0.26   0.05     0.08   0.18   0.11     0.34  -0.10  -0.15
     7   1     0.12   0.25  -0.34     0.14   0.17   0.05     0.14  -0.09   0.15
     8   1     0.00   0.14  -0.06    -0.19   0.07   0.34     0.13  -0.04   0.02
     9   1    -0.08   0.16   0.10    -0.10  -0.13  -0.09    -0.19  -0.22   0.01
    10   1    -0.01   0.23   0.13    -0.11  -0.13  -0.09     0.11   0.05   0.21
    11   1    -0.31  -0.08  -0.07    -0.09  -0.11  -0.07    -0.02  -0.06   0.15
    12   1     0.02  -0.18  -0.05     0.20   0.15   0.09    -0.21   0.14   0.33
    13   1    -0.04  -0.10  -0.02     0.39  -0.19  -0.02    -0.05  -0.11   0.24
    14   1     0.04  -0.24  -0.07     0.19   0.19   0.12     0.08  -0.31   0.21
    15   1    -0.08  -0.09   0.39     0.09   0.08   0.13    -0.12   0.05  -0.02
    16   1    -0.20   0.20  -0.02     0.10   0.16   0.11    -0.17   0.15  -0.17
    17   1    -0.11   0.05   0.14     0.00   0.26  -0.24    -0.12   0.08  -0.07
                     10                     11                     12
                      A                      A                      A
 Frequencies --    681.6899               753.4467               777.8327
 Red. masses --      3.3804                 2.4688                 2.2483
 Frc consts  --      0.9255                 0.8257                 0.8015
 IR Inten    --      0.0466                 0.1323                 0.0708
 RamAct Fr= 1--     16.2578                 0.9408                 0.5756
  Dep-P Fr= 1--      0.0056                 0.6882                 0.5154
  Dep-U Fr= 1--      0.0111                 0.8153                 0.6802
 Alpha2 Fr= 1--      0.3566                 0.0010                 0.0026
 Beta2  Fr= 1--      0.0300                 0.1278                 0.0653
 AlphaG Fr= 1--     -0.0000                -0.0000                 0.0000
 Gamma2 Fr= 1--     -0.0088                -0.0829                -0.2539
 Delta2 Fr= 1--     -0.0087                -0.1089                -0.3135
 Raman1 Fr= 1--      65.031                  3.763                  2.302
 ROA1   Fr= 1--      -1.123                -11.443                -34.410
 CID1   Fr= 1--      -0.017                 -3.041                -14.945
 Raman2 Fr= 1--       0.360                  1.534                  0.783
 ROA2   Fr= 1--      -0.142                 -1.119                 -3.587
 CID2   Fr= 1--      -0.395                 -0.729                 -4.580
 Raman3 Fr= 1--       0.719                  3.068                  1.566
 ROA3   Fr= 1--      -1.123                -11.443                -34.410
 CID3   Fr= 1--      -1.561                 -3.730                -21.971
 RC180  Fr= 1--      -0.978                  0.631                  0.360
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.04   0.01    -0.02  -0.01  -0.02     0.00   0.02  -0.05
     2   6     0.15   0.07  -0.07    -0.02  -0.01   0.02     0.01  -0.03  -0.12
     3   6    -0.15  -0.13  -0.11    -0.01   0.14  -0.07    -0.10   0.06   0.09
     4   6    -0.09   0.17   0.05    -0.02   0.03   0.01     0.02  -0.01  -0.02
     5   6     0.10  -0.06   0.15     0.02  -0.16   0.01     0.07   0.00   0.00
     6   1     0.16   0.01  -0.11    -0.04  -0.03   0.01     0.26   0.11  -0.14
     7   1     0.09   0.02  -0.05    -0.05  -0.02   0.03     0.20   0.05  -0.02
     8   1     0.28   0.05  -0.23     0.00   0.00  -0.03    -0.30  -0.06   0.36
     9   1    -0.23  -0.25  -0.14    -0.26  -0.29  -0.18     0.10   0.01  -0.03
    10   1    -0.18  -0.19  -0.16     0.21   0.10   0.17    -0.24  -0.28  -0.20
    11   1    -0.22  -0.17  -0.13     0.25   0.18   0.24     0.31   0.27   0.14
    12   1    -0.09   0.17   0.05     0.01  -0.09  -0.07    -0.06  -0.03   0.01
    13   1    -0.10   0.19   0.05    -0.09   0.13  -0.04    -0.11   0.06   0.06
    14   1    -0.10   0.18   0.05    -0.06   0.05  -0.04     0.03  -0.19  -0.06
    15   1     0.09  -0.08   0.18     0.23  -0.18   0.47    -0.00  -0.09   0.17
    16   1     0.09  -0.09   0.13     0.08   0.03   0.15    -0.07   0.06  -0.14
    17   1     0.13  -0.18   0.27    -0.09   0.20  -0.29     0.02  -0.12   0.25
                     13                     14                     15
                      A                      A                      A
 Frequencies --    795.3240               812.2463               885.6486
 Red. masses --      2.6575                 2.8227                 2.0954
 Frc consts  --      0.9904                 1.0972                 0.9684
 IR Inten    --      0.4559                 0.2837                 0.2204
 RamAct Fr= 1--      3.1738                 4.0127                 3.2587
  Dep-P Fr= 1--      0.7415                 0.5525                 0.3124
  Dep-U Fr= 1--      0.8515                 0.7117                 0.4760
 Alpha2 Fr= 1--      0.0005                 0.0151                 0.0322
 Beta2  Fr= 1--      0.4504                 0.4760                 0.2585
 AlphaG Fr= 1--     -0.0000                 0.0000                 0.0001
 Gamma2 Fr= 1--      0.3486                 0.1857                -0.4107
 Delta2 Fr= 1--      0.4590                 0.2556                -0.5639
 Raman1 Fr= 1--      12.695                 16.051                 13.035
 ROA1   Fr= 1--      48.157                 26.008                -57.470
 CID1   Fr= 1--       3.793                  1.620                 -4.409
 Raman2 Fr= 1--       5.405                  5.712                  3.103
 ROA2   Fr= 1--       4.695                  2.413                 -5.345
 CID2   Fr= 1--       0.869                  0.422                 -1.723
 Raman3 Fr= 1--      10.810                 11.424                  6.205
 ROA3   Fr= 1--      48.157                 26.008                -57.470
 CID3   Fr= 1--       4.455                  2.277                 -9.262
 RC180  Fr= 1--       0.703                  0.423                 -0.048
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.01  -0.10    -0.01  -0.07   0.01    -0.05  -0.05  -0.02
     2   6    -0.13  -0.07  -0.01     0.07   0.00  -0.07     0.08  -0.07  -0.12
     3   6     0.12  -0.04  -0.08     0.06  -0.08   0.13     0.04   0.03  -0.01
     4   6    -0.06   0.11   0.01    -0.10   0.15   0.06    -0.04   0.04  -0.02
     5   6     0.10   0.00   0.01    -0.04  -0.11  -0.11    -0.09  -0.03   0.17
     6   1     0.07  -0.01  -0.06     0.12   0.05  -0.07    -0.02   0.15   0.04
     7   1    -0.06  -0.06   0.13     0.15   0.05  -0.08     0.31   0.14  -0.35
     8   1    -0.34  -0.12   0.35    -0.00   0.01   0.03    -0.21   0.05   0.15
     9   1    -0.03   0.03   0.02     0.36   0.36   0.23    -0.00   0.02  -0.00
    10   1     0.26   0.31   0.21    -0.11  -0.05  -0.07     0.11   0.11   0.10
    11   1    -0.23  -0.21  -0.14    -0.09  -0.09  -0.11     0.06   0.03   0.04
    12   1    -0.11   0.25   0.11    -0.02   0.12   0.00    -0.14   0.23   0.14
    13   1     0.01   0.01   0.06    -0.05   0.14   0.00     0.03  -0.09   0.07
    14   1     0.00   0.06   0.06    -0.14   0.29   0.05     0.06  -0.06   0.07
    15   1     0.00  -0.11   0.21     0.09  -0.15   0.29     0.06   0.18  -0.29
    16   1    -0.07   0.06  -0.16    -0.05   0.08  -0.06     0.20  -0.25   0.42
    17   1     0.05  -0.17   0.30    -0.19   0.23  -0.35     0.12   0.00  -0.17
                     16                     17                     18
                      A                      A                      A
 Frequencies --    919.7140               992.1077              1013.9709
 Red. masses --      1.6749                 1.6106                 1.8820
 Frc consts  --      0.8347                 0.9340                 1.1400
 IR Inten    --      0.4232                 0.0824                 0.1692
 RamAct Fr= 1--      3.9232                 2.1985                 1.8118
  Dep-P Fr= 1--      0.7470                 0.7062                 0.7422
  Dep-U Fr= 1--      0.8552                 0.8278                 0.8520
 Alpha2 Fr= 1--      0.0002                 0.0017                 0.0002
 Beta2  Fr= 1--      0.5592                 0.3033                 0.2573
 AlphaG Fr= 1--     -0.0000                -0.0000                -0.0000
 Gamma2 Fr= 1--      0.2827                 0.0945                -0.1309
 Delta2 Fr= 1--      0.3425                 0.0318                -0.2224
 Raman1 Fr= 1--      15.693                  8.794                  7.247
 ROA1   Fr= 1--      38.099                 10.088                -19.678
 CID1   Fr= 1--       2.428                  1.147                 -2.715
 Raman2 Fr= 1--       6.710                  3.640                  3.087
 ROA2   Fr= 1--       4.045                  2.013                 -1.362
 CID2   Fr= 1--       0.603                  0.553                 -0.441
 Raman3 Fr= 1--      13.420                  7.280                  6.175
 ROA3   Fr= 1--      38.099                 10.088                -19.678
 CID3   Fr= 1--       2.839                  1.386                 -3.187
 RC180  Fr= 1--       0.710                  0.656                  0.704
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.13  -0.01   0.04    -0.00   0.02  -0.09    -0.03  -0.11   0.01
     2   6     0.00  -0.10   0.05    -0.01  -0.01   0.12     0.08  -0.09   0.05
     3   6    -0.02  -0.01  -0.02    -0.02  -0.02   0.04    -0.04   0.03  -0.03
     4   6     0.05   0.09   0.04    -0.00   0.04  -0.13    -0.11  -0.01   0.03
     5   6    -0.02   0.02  -0.05     0.01  -0.03  -0.00     0.07   0.08  -0.08
     6   1    -0.36   0.07   0.28    -0.21  -0.01   0.19    -0.27   0.09   0.27
     7   1     0.13   0.09  -0.30    -0.08   0.01  -0.07     0.20   0.12  -0.38
     8   1    -0.18   0.09   0.04     0.10   0.08  -0.17    -0.01   0.14  -0.12
     9   1    -0.08  -0.13  -0.06     0.09   0.09   0.05    -0.01   0.03  -0.04
    10   1    -0.03  -0.09  -0.07    -0.07  -0.04  -0.03     0.06   0.06   0.10
    11   1    -0.10  -0.05  -0.05     0.07   0.05   0.01     0.18   0.11   0.11
    12   1    -0.12  -0.15  -0.03    -0.32   0.49   0.28     0.11   0.12  -0.00
    13   1    -0.37   0.43   0.15     0.06  -0.23   0.17     0.22  -0.22  -0.12
    14   1     0.01  -0.29  -0.13     0.26  -0.41   0.06    -0.12   0.43   0.14
    15   1    -0.04   0.02  -0.07     0.10  -0.03   0.15    -0.12  -0.06   0.02
    16   1    -0.07   0.06  -0.10     0.03  -0.03   0.02    -0.05   0.09  -0.20
    17   1    -0.05   0.07  -0.08     0.05  -0.07  -0.00    -0.03  -0.05   0.23
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1076.3636              1078.0788              1084.1326
 Red. masses --      2.1991                 2.1811                 2.2877
 Frc consts  --      1.5011                 1.4936                 1.5842
 IR Inten    --      2.6600                 4.1749                 4.2694
 RamAct Fr= 1--      1.8953                 1.7090                 1.1828
  Dep-P Fr= 1--      0.7254                 0.7426                 0.7487
  Dep-U Fr= 1--      0.8408                 0.8523                 0.8563
 Alpha2 Fr= 1--      0.0008                 0.0002                 0.0000
 Beta2  Fr= 1--      0.2656                 0.2428                 0.1688
 AlphaG Fr= 1--      0.0000                -0.0000                -0.0000
 Gamma2 Fr= 1--      0.0867                 0.0408                -0.3081
 Delta2 Fr= 1--      0.0436                 0.0322                 0.0144
 Raman1 Fr= 1--       7.581                  6.836                  4.731
 ROA1   Fr= 1--       9.723                  4.948                -29.118
 CID1   Fr= 1--       1.282                  0.724                 -6.154
 Raman2 Fr= 1--       3.187                  2.913                  2.026
 ROA2   Fr= 1--       1.733                  0.722                 -7.509
 CID2   Fr= 1--       0.544                  0.248                 -3.707
 Raman3 Fr= 1--       6.375                  5.826                  4.051
 ROA3   Fr= 1--       9.723                  4.948                -29.118
 CID3   Fr= 1--       1.525                  0.849                 -7.187
 RC180  Fr= 1--       0.682                  0.705                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00  -0.01  -0.01     0.01   0.01   0.03
     2   6     0.00  -0.01  -0.00    -0.01   0.01   0.00    -0.00   0.00  -0.01
     3   6     0.03   0.01  -0.11    -0.10   0.08  -0.02     0.08   0.10  -0.01
     4   6     0.01  -0.00   0.02     0.00   0.00   0.00    -0.03  -0.01  -0.05
     5   6    -0.06   0.03  -0.03    -0.01   0.01   0.00     0.12  -0.05   0.05
     6   1    -0.01  -0.00   0.01     0.04   0.00  -0.02     0.00  -0.01  -0.02
     7   1    -0.02  -0.01  -0.02    -0.02  -0.01   0.03    -0.01  -0.01   0.01
     8   1    -0.02   0.01   0.01     0.02  -0.00  -0.02    -0.02  -0.01   0.03
     9   1    -0.23   0.42   0.22     0.52   0.04  -0.31    -0.19  -0.00   0.06
    10   1     0.07  -0.26  -0.15     0.38  -0.47   0.38     0.02  -0.30  -0.22
    11   1    -0.05  -0.25   0.59    -0.29  -0.06   0.06    -0.26  -0.16   0.24
    12   1     0.03  -0.07  -0.03    -0.01  -0.01  -0.00    -0.07   0.23   0.10
    13   1    -0.03   0.06  -0.01    -0.01   0.02   0.00     0.12  -0.19   0.01
    14   1    -0.03   0.00  -0.03    -0.01  -0.02  -0.02     0.08  -0.03   0.07
    15   1     0.21   0.13   0.14     0.02   0.02   0.00    -0.36  -0.24  -0.23
    16   1    -0.03   0.01  -0.01     0.01   0.01   0.03     0.03   0.00  -0.02
    17   1     0.17  -0.24  -0.01     0.02  -0.03   0.02    -0.30   0.41   0.03
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1096.0183              1199.5482              1230.0462
 Red. masses --      2.4221                 2.9025                 3.1545
 Frc consts  --      1.7143                 2.4607                 2.8120
 IR Inten    --      1.2174                 3.0541                 4.1157
 RamAct Fr= 1--      1.6495                10.8860                10.3826
  Dep-P Fr= 1--      0.0645                 0.7423                 0.6997
  Dep-U Fr= 1--      0.1211                 0.8521                 0.8233
 Alpha2 Fr= 1--      0.0315                 0.0014                 0.0091
 Beta2  Fr= 1--      0.0333                 1.5460                 1.4247
 AlphaG Fr= 1--      0.0001                -0.0000                -0.0001
 Gamma2 Fr= 1--      0.0169                 0.3946                -0.8861
 Delta2 Fr= 1--      0.0006                 0.2262                -0.4411
 Raman1 Fr= 1--       6.598                 43.544                 41.530
 ROA1   Fr= 1--       1.638                 45.123                -99.179
 CID1   Fr= 1--       0.248                  1.036                 -2.388
 Raman2 Fr= 1--       0.400                 18.552                 17.096
 ROA2   Fr= 1--       0.401                  7.661                -17.738
 CID2   Fr= 1--       1.002                  0.413                 -1.038
 Raman3 Fr= 1--       0.799                 37.104                 34.192
 ROA3   Fr= 1--       1.638                 45.123                -99.179
 CID3   Fr= 1--       2.049                  1.216                 -2.901
 RC180  Fr= 1--      -0.758                  0.704                  0.647
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.04  -0.01     0.26  -0.20  -0.04     0.18   0.28   0.03
     2   6    -0.02   0.03   0.01    -0.09   0.09   0.01     0.04  -0.07  -0.01
     3   6    -0.11  -0.14  -0.12    -0.06   0.03  -0.00    -0.11  -0.11  -0.06
     4   6     0.07   0.05   0.01    -0.09   0.05  -0.00    -0.08  -0.10  -0.01
     5   6     0.08  -0.01   0.05    -0.04   0.00   0.07    -0.01  -0.09   0.06
     6   1     0.10  -0.02  -0.07    -0.11  -0.29  -0.17    -0.14   0.11   0.15
     7   1     0.01   0.02   0.08     0.05   0.05   0.31    -0.33  -0.24  -0.08
     8   1     0.08  -0.03  -0.04     0.15  -0.25   0.10    -0.26   0.16   0.13
     9   1     0.09   0.40   0.07    -0.05  -0.02  -0.04     0.08   0.16  -0.02
    10   1     0.08   0.22   0.27    -0.07  -0.04  -0.03    -0.04   0.01   0.10
    11   1     0.37   0.02   0.20     0.15   0.11   0.10     0.11  -0.03   0.02
    12   1    -0.10  -0.09   0.00    -0.02   0.27   0.09     0.22   0.13  -0.02
    13   1    -0.23   0.27   0.10     0.05  -0.06  -0.02     0.23  -0.26  -0.17
    14   1     0.03  -0.21  -0.11    -0.03   0.24   0.13    -0.01   0.28   0.16
    15   1    -0.25  -0.13  -0.18     0.06   0.14  -0.22     0.08  -0.01  -0.05
    16   1     0.07  -0.03   0.04    -0.34   0.14  -0.26    -0.17   0.13  -0.08
    17   1    -0.18   0.23   0.08     0.11   0.01  -0.15    -0.02   0.13  -0.19
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1250.2556              1300.4870              1323.1695
 Red. masses --      3.5823                 1.2988                 1.2908
 Frc consts  --      3.2992                 1.2943                 1.3315
 IR Inten    --      6.6261                 3.3448                 5.4590
 RamAct Fr= 1--     12.1519                 1.2429                 3.4675
  Dep-P Fr= 1--      0.7498                 0.7474                 0.7438
  Dep-U Fr= 1--      0.8570                 0.8555                 0.8531
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0004
 Beta2  Fr= 1--      1.7358                 0.1772                 0.4930
 AlphaG Fr= 1--      0.0000                 0.0000                -0.0000
 Gamma2 Fr= 1--      0.8538                -0.4007                 0.6294
 Delta2 Fr= 1--      0.2851                -0.1898                 0.2452
 Raman1 Fr= 1--      48.607                  4.972                 13.870
 ROA1   Fr= 1--      91.087                -44.537                 68.268
 CID1   Fr= 1--       1.874                 -8.958                  4.922
 Raman2 Fr= 1--      20.829                  2.127                  5.916
 ROA2   Fr= 1--      18.210                 -8.098                 13.143
 CID2   Fr= 1--       0.874                 -3.808                  2.222
 Raman3 Fr= 1--      41.659                  4.253                 11.832
 ROA3   Fr= 1--      91.087                -44.537                 68.268
 CID3   Fr= 1--       2.187                -10.472                  5.770
 RC180  Fr= 1--       0.714                  0.711                  0.706
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.38    -0.03  -0.00   0.08     0.00   0.06  -0.02
     2   6     0.03   0.05  -0.13    -0.06  -0.05   0.02    -0.05  -0.02   0.02
     3   6    -0.04  -0.03  -0.08     0.01   0.00  -0.02     0.00  -0.01   0.00
     4   6    -0.01   0.01  -0.13     0.01   0.01  -0.03    -0.01  -0.01   0.01
     5   6    -0.03   0.03  -0.15     0.03  -0.02   0.04    -0.01  -0.07  -0.02
     6   1    -0.18  -0.17  -0.14     0.57   0.36  -0.03    -0.02  -0.03  -0.00
     7   1     0.26   0.09   0.14     0.17   0.11  -0.07     0.42   0.27  -0.04
     8   1     0.04  -0.20   0.22    -0.02   0.08  -0.21     0.10  -0.14  -0.04
     9   1    -0.06  -0.04  -0.09    -0.02  -0.02  -0.01     0.01   0.01   0.01
    10   1     0.07   0.10   0.12     0.02   0.03   0.02    -0.01  -0.01  -0.01
    11   1     0.04  -0.01  -0.02    -0.01  -0.01  -0.01    -0.01  -0.01  -0.01
    12   1    -0.19   0.30   0.14    -0.06   0.02   0.02     0.04  -0.03  -0.02
    13   1     0.06  -0.29   0.20    -0.00  -0.05   0.06     0.06  -0.02  -0.06
    14   1     0.27  -0.23   0.15     0.05  -0.06   0.01    -0.03  -0.01  -0.02
    15   1     0.03  -0.01   0.17     0.08   0.04  -0.06     0.16   0.06  -0.15
    16   1     0.10   0.04   0.02    -0.42   0.17  -0.42     0.09   0.68   0.35
    17   1    -0.06  -0.07   0.01     0.10   0.02  -0.12    -0.16  -0.04   0.16
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1329.2002              1349.8641              1411.9459
 Red. masses --      1.3715                 1.4846                 1.2327
 Frc consts  --      1.4277                 1.5938                 1.4479
 IR Inten    --      4.3034                 2.5941                 5.2959
 RamAct Fr= 1--      2.9345                 4.9187                 0.2260
  Dep-P Fr= 1--      0.7252                 0.7152                 0.4873
  Dep-U Fr= 1--      0.8407                 0.8339                 0.6553
 Alpha2 Fr= 1--      0.0012                 0.0030                 0.0012
 Beta2  Fr= 1--      0.4112                 0.6837                 0.0247
 AlphaG Fr= 1--     -0.0000                -0.0000                 0.0000
 Gamma2 Fr= 1--      0.0299                -0.5502                 0.0546
 Delta2 Fr= 1--      0.2812                -0.4222                 0.0307
 Raman1 Fr= 1--      11.738                 19.675                  0.904
 ROA1   Fr= 1--      11.864                -66.329                  6.228
 CID1   Fr= 1--       1.011                 -3.371                  6.889
 Raman2 Fr= 1--       4.934                  8.204                  0.296
 ROA2   Fr= 1--      -1.533                 -9.827                  1.066
 CID2   Fr= 1--      -0.311                 -1.198                  3.598
 Raman3 Fr= 1--       9.869                 16.408                  0.592
 ROA3   Fr= 1--      11.864                -66.329                  6.228
 CID3   Fr= 1--       1.202                 -4.043                 10.513
 RC180  Fr= 1--       0.681                  0.668                  0.311
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.09  -0.03     0.13  -0.05   0.02    -0.01   0.02   0.00
     2   6    -0.08  -0.03   0.02    -0.06  -0.03   0.02    -0.01  -0.01  -0.00
     3   6    -0.01  -0.02  -0.00    -0.02   0.00  -0.00     0.00   0.00   0.00
     4   6    -0.02  -0.02   0.02    -0.03   0.01  -0.01     0.07  -0.12  -0.03
     5   6    -0.01   0.04   0.01    -0.05   0.03  -0.07    -0.00   0.00  -0.01
     6   1    -0.01   0.02   0.02     0.54   0.36  -0.02    -0.00   0.07   0.04
     7   1     0.59   0.35   0.02    -0.16  -0.10   0.06     0.09   0.03   0.06
     8   1     0.12  -0.19  -0.06    -0.09   0.13  -0.16     0.01  -0.02  -0.03
     9   1     0.02   0.03   0.00    -0.03  -0.02  -0.01     0.00  -0.01   0.00
    10   1    -0.01  -0.02   0.00    -0.02  -0.01  -0.02     0.00  -0.01  -0.01
    11   1    -0.01  -0.02   0.00     0.03   0.02   0.02    -0.02  -0.00  -0.01
    12   1     0.13  -0.04  -0.06     0.05   0.07  -0.01    -0.19   0.40   0.36
    13   1     0.10  -0.05  -0.10     0.02  -0.04   0.01    -0.43   0.35   0.03
    14   1    -0.01  -0.01   0.02     0.04   0.03   0.08    -0.10   0.56  -0.01
    15   1    -0.14  -0.08   0.15    -0.07  -0.00   0.04    -0.00  -0.00   0.02
    16   1     0.11  -0.57  -0.06     0.43  -0.11   0.45     0.03  -0.02   0.02
    17   1     0.07   0.04  -0.10    -0.12  -0.04   0.11    -0.00  -0.01   0.00
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1473.4628              1498.4072              1501.1632
 Red. masses --      1.0750                 1.0530                 1.0598
 Frc consts  --      1.3751                 1.3930                 1.4071
 IR Inten    --      2.9149                 5.0844                 6.6878
 RamAct Fr= 1--      4.7407                 4.2611                 2.4581
  Dep-P Fr= 1--      0.7499                 0.7500                 0.7499
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8570
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.6772                 0.6087                 0.3511
 AlphaG Fr= 1--     -0.0000                -0.0000                 0.0000
 Gamma2 Fr= 1--     -0.0031                 0.0026                 0.0225
 Delta2 Fr= 1--      0.0206                -0.0031                -0.0000
 Raman1 Fr= 1--      18.963                 17.044                  9.833
 ROA1   Fr= 1--       0.364                  0.151                  2.159
 CID1   Fr= 1--       0.019                  0.009                  0.220
 Raman2 Fr= 1--       8.126                  7.305                  4.213
 ROA2   Fr= 1--      -0.239                  0.088                  0.540
 CID2   Fr= 1--      -0.029                  0.012                  0.128
 Raman3 Fr= 1--      16.252                 14.609                  8.427
 ROA3   Fr= 1--       0.364                  0.151                  2.159
 CID3   Fr= 1--       0.022                  0.010                  0.256
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01  -0.01     0.01   0.02  -0.03    -0.03  -0.01  -0.02
     2   6     0.01  -0.02  -0.06    -0.00  -0.00   0.01     0.01  -0.00  -0.02
     3   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.01   0.00   0.00
     4   6     0.01   0.02   0.01     0.02   0.02  -0.04    -0.04  -0.01  -0.02
     5   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.01
     6   1    -0.28   0.49   0.34    -0.02  -0.01   0.01    -0.12   0.16   0.12
     7   1     0.13  -0.16   0.62     0.03   0.02  -0.01     0.05  -0.05   0.22
     8   1     0.02  -0.01  -0.06     0.01  -0.01  -0.00     0.02  -0.01  -0.02
     9   1    -0.00   0.00   0.00     0.00   0.01   0.00     0.01   0.00   0.00
    10   1    -0.00   0.00  -0.00    -0.00  -0.01  -0.01     0.01  -0.00  -0.00
    11   1     0.01   0.00   0.01    -0.00  -0.00   0.01    -0.01  -0.00  -0.00
    12   1    -0.19  -0.09   0.04    -0.24  -0.43  -0.17     0.54   0.12  -0.20
    13   1     0.14  -0.09  -0.02    -0.15  -0.30   0.62    -0.30   0.20   0.08
    14   1    -0.14  -0.01  -0.18     0.13   0.39   0.23     0.40  -0.11   0.47
    15   1     0.01   0.00  -0.01    -0.01  -0.00  -0.00     0.01   0.01  -0.01
    16   1    -0.02   0.03  -0.01     0.02  -0.01   0.02    -0.03   0.04  -0.01
    17   1     0.00   0.00   0.00    -0.00   0.01   0.00     0.00  -0.01   0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --   2169.9595              2206.9078              2245.0204
 Red. masses --      2.1312                 2.1898                 2.2673
 Frc consts  --      5.9125                 6.2839                 6.7328
 IR Inten    --     15.7899                13.2825                15.1325
 RamAct Fr= 1--     70.8191                74.2336                61.9830
  Dep-P Fr= 1--      0.0023                 0.0598                 0.1762
  Dep-U Fr= 1--      0.0046                 0.1129                 0.2996
 Alpha2 Fr= 1--      1.5654                 1.4324                 0.8959
 Beta2  Fr= 1--      0.0537                 1.3968                 3.0953
 AlphaG Fr= 1--     -0.0002                -0.0006                 0.0008
 Gamma2 Fr= 1--      0.0400                -0.4267                 0.6521
 Delta2 Fr= 1--      0.0368                -0.3934                 0.5992
 Raman1 Fr= 1--     283.276                296.935                247.932
 ROA1   Fr= 1--       5.015                -53.553                 81.776
 CID1   Fr= 1--       0.018                 -0.180                  0.330
 Raman2 Fr= 1--       0.645                 16.762                 37.143
 ROA2   Fr= 1--       0.665                 -7.094                 10.857
 CID2   Fr= 1--       1.031                 -0.423                  0.292
 Raman3 Fr= 1--       1.289                 33.524                 74.286
 ROA3   Fr= 1--       5.015                -53.553                 81.776
 CID3   Fr= 1--       3.891                 -1.597                  1.101
 RC180  Fr= 1--      -0.991                 -0.774                 -0.401
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.11  -0.10  -0.06
     3   6    -0.07  -0.07  -0.05    -0.01  -0.00  -0.00     0.00   0.00   0.01
     4   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     5   6    -0.01   0.00  -0.00     0.13  -0.03   0.04    -0.01   0.01   0.00
     6   1    -0.00   0.00  -0.00    -0.01   0.00  -0.00    -0.03   0.03  -0.07
     7   1    -0.00  -0.01  -0.00     0.00  -0.01   0.00     0.03  -0.07  -0.03
     8   1     0.01   0.01   0.01     0.03   0.03   0.02     0.64   0.60   0.43
     9   1     0.21  -0.25   0.47     0.01  -0.01   0.02    -0.01   0.01  -0.02
    10   1     0.44   0.13  -0.35     0.03   0.01  -0.03     0.01   0.00  -0.00
    11   1    -0.26   0.49   0.15    -0.01   0.03   0.01     0.01  -0.02  -0.01
    12   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01     0.00  -0.00   0.00
    13   1     0.01  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.00   0.00
    14   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.01   0.00
    15   1     0.02  -0.04  -0.01    -0.33   0.59   0.17     0.02  -0.04  -0.01
    16   1    -0.01  -0.00   0.00     0.08   0.02  -0.07     0.00  -0.00   0.01
    17   1     0.03   0.03   0.02    -0.45  -0.42  -0.32     0.01   0.01   0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --   2283.1952              2284.5529              2285.8701
 Red. masses --      2.3739                 2.3769                 2.3787
 Frc consts  --      7.2913                 7.3090                 7.3232
 IR Inten    --      7.7631                15.7732                24.9812
 RamAct Fr= 1--     18.7056                39.0272                58.7789
  Dep-P Fr= 1--      0.7490                 0.7498                 0.7496
  Dep-U Fr= 1--      0.8565                 0.8570                 0.8569
 Alpha2 Fr= 1--      0.0003                 0.0001                 0.0004
 Beta2  Fr= 1--      2.6702                 5.5745                 8.3944
 AlphaG Fr= 1--     -0.0000                -0.0000                 0.0000
 Gamma2 Fr= 1--     -1.5504                 0.3203                 1.0091
 Delta2 Fr= 1--     -1.4228                 0.2848                 0.9241
 Raman1 Fr= 1--      74.822                156.109                235.116
 ROA1   Fr= 1--    -194.366                 39.865                126.444
 CID1   Fr= 1--      -2.598                  0.255                  0.538
 Raman2 Fr= 1--      32.042                 66.894                100.732
 ROA2   Fr= 1--     -25.826                  5.409                 16.826
 CID2   Fr= 1--      -0.806                  0.081                  0.167
 Raman3 Fr= 1--      64.084                133.788                201.465
 ROA3   Fr= 1--    -194.366                 39.865                126.444
 CID3   Fr= 1--      -3.033                  0.298                  0.628
 RC180  Fr= 1--       0.713                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     2   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   6     0.08  -0.11   0.03    -0.10  -0.02   0.16     0.08  -0.10   0.03
     4   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     5   6     0.01   0.12   0.06    -0.00   0.00  -0.00    -0.02  -0.12  -0.06
     6   1     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     7   1    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.01   0.00
     8   1    -0.01  -0.01  -0.01    -0.02  -0.02  -0.01     0.01   0.01   0.01
     9   1    -0.17   0.19  -0.38    -0.18   0.21  -0.40    -0.16   0.19  -0.37
    10   1    -0.06  -0.02   0.05     0.61   0.17  -0.48    -0.05  -0.02   0.04
    11   1    -0.24   0.45   0.14     0.14  -0.27  -0.08    -0.23   0.44   0.14
    12   1     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.01   0.00
    13   1     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.01  -0.00
    14   1     0.00   0.00   0.00    -0.00  -0.01  -0.00    -0.00  -0.00   0.00
    15   1     0.23  -0.41  -0.12     0.01  -0.01  -0.00    -0.24   0.42   0.12
    16   1     0.00   0.01   0.00    -0.01  -0.00  -0.00    -0.00  -0.01  -0.00
    17   1    -0.32  -0.29  -0.23     0.00   0.00  -0.00     0.32   0.30   0.23
                     40                     41                     42
                      A                      A                      A
 Frequencies --   3021.2236              3044.0624              3064.2180
 Red. masses --      1.0345                 1.0602                 1.0831
 Frc consts  --      5.5632                 5.7882                 5.9917
 IR Inten    --     32.1650                30.5835                23.6549
 RamAct Fr= 1--    140.9007               144.5152               107.6959
  Dep-P Fr= 1--      0.0011                 0.0730                 0.1807
  Dep-U Fr= 1--      0.0022                 0.1360                 0.3061
 Alpha2 Fr= 1--      3.1230                 2.7018                 1.5385
 Beta2  Fr= 1--      0.0524                 3.2764                 5.4947
 AlphaG Fr= 1--     -0.0003                -0.0014                 0.0013
 Gamma2 Fr= 1--      0.0480                -1.7189                 1.2144
 Delta2 Fr= 1--      0.0436                -1.5637                 1.1106
 Raman1 Fr= 1--     563.603                578.061                430.784
 ROA1   Fr= 1--       6.004               -215.056                152.125
 CID1   Fr= 1--       0.011                 -0.372                  0.353
 Raman2 Fr= 1--       0.629                 39.317                 65.936
 ROA2   Fr= 1--       0.804                -28.745                 20.261
 CID2   Fr= 1--       1.278                 -0.731                  0.307
 Raman3 Fr= 1--       1.259                 78.633                131.872
 ROA3   Fr= 1--       6.004               -215.056                152.125
 CID3   Fr= 1--       4.770                 -2.735                  1.154
 RC180  Fr= 1--      -0.996                 -0.728                 -0.388
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     2   6     0.00   0.00   0.01     0.01  -0.02  -0.06     0.00  -0.00  -0.00
     3   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6    -0.02   0.04   0.01    -0.00   0.00   0.00     0.01   0.01  -0.00
     5   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.06  -0.02   0.05
     6   1    -0.02   0.03  -0.05     0.24  -0.32   0.57     0.00  -0.01   0.01
     7   1     0.03  -0.05  -0.01    -0.34   0.59   0.17    -0.04   0.06   0.02
     8   1    -0.00  -0.00  -0.00     0.02   0.01   0.01     0.00   0.00  -0.00
     9   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    10   1     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    11   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    12   1     0.21  -0.25   0.47     0.01  -0.01   0.02     0.02  -0.02   0.04
    13   1    -0.37  -0.35  -0.26    -0.05  -0.05  -0.03    -0.05  -0.05  -0.04
    14   1     0.43   0.12  -0.36     0.04   0.01  -0.03    -0.05  -0.01   0.04
    15   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.02   0.00
    16   1    -0.03  -0.01   0.02    -0.05  -0.01   0.04     0.73   0.21  -0.62
    17   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.01   0.01
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3081.7872              3083.8082              3085.2243
 Red. masses --      1.1023                 1.1015                 1.1014
 Frc consts  --      6.1680                 6.1716                 6.1769
 IR Inten    --     16.4574                38.2726                54.5301
 RamAct Fr= 1--     36.6758                80.0345               107.4533
  Dep-P Fr= 1--      0.7453                 0.7316                 0.7497
  Dep-U Fr= 1--      0.8541                 0.8450                 0.8570
 Alpha2 Fr= 1--      0.0029                 0.0252                 0.0005
 Beta2  Fr= 1--      5.2206                11.2717                15.3473
 AlphaG Fr= 1--     -0.0000                 0.0000                 0.0000
 Gamma2 Fr= 1--      8.5461                -1.6389                -6.5105
 Delta2 Fr= 1--      7.8042                -1.4966                -5.9277
 Raman1 Fr= 1--     146.703                320.138                429.813
 ROA1   Fr= 1--    1070.162               -205.228               -814.696
 CID1   Fr= 1--       7.295                 -0.641                 -1.895
 Raman2 Fr= 1--      62.647                135.261                184.168
 ROA2   Fr= 1--     142.674                -27.361               -108.831
 CID2   Fr= 1--       2.277                 -0.202                 -0.591
 Raman3 Fr= 1--     125.294                270.522                368.336
 ROA3   Fr= 1--    1070.162               -205.228               -814.696
 CID3   Fr= 1--       8.541                 -0.759                 -2.212
 RC180  Fr= 1--       0.708                  0.690                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     2   6     0.03  -0.05   0.02    -0.00   0.01  -0.00    -0.03   0.05  -0.02
     3   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     4   6    -0.01   0.01  -0.06    -0.08  -0.04  -0.00    -0.00   0.02  -0.07
     5   6     0.00   0.00  -0.00    -0.01  -0.00   0.01     0.00   0.00  -0.00
     6   1    -0.17   0.22  -0.42     0.03  -0.04   0.07     0.16  -0.21   0.41
     7   1    -0.25   0.44   0.15     0.02  -0.03  -0.01     0.22  -0.39  -0.13
     8   1     0.00  -0.01   0.00     0.00   0.00  -0.00    -0.00   0.01  -0.00
     9   1    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    10   1    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    11   1     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    12   1     0.20  -0.25   0.45     0.02  -0.06   0.09     0.22  -0.27   0.47
    13   1     0.17   0.17   0.11     0.46   0.46   0.35     0.12   0.12   0.07
    14   1    -0.23  -0.06   0.17     0.48   0.12  -0.41    -0.31  -0.08   0.24
    15   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    16   1    -0.04  -0.01   0.04     0.07   0.02  -0.06    -0.01  -0.00   0.01
    17   1     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  1 and mass   1.00783
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  1 and mass   2.01410
 Atom     9 has atomic number  1 and mass   2.01410
 Atom    10 has atomic number  1 and mass   2.01410
 Atom    11 has atomic number  1 and mass   2.01410
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   2.01410
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   2.01410
 Molecular mass:    78.13156 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   445.96566 478.64930 494.37923
           X            0.78427  -0.06792  -0.61669
           Y            0.39526   0.82087   0.41225
           Z            0.47822  -0.56707   0.67063
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.19422     0.18095     0.17520
 Rotational constants (GHZ):           4.04682     3.77049     3.65052
 Zero-point vibrational energy     366683.2 (Joules/Mol)
                                   87.63939 (Kcal/Mol)
 Warning -- explicit consideration of   9 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    233.54   294.59   334.06   381.18   431.76
          (Kelvin)            437.46   541.61   544.69   563.07   980.80
                             1084.04  1119.13  1144.29  1168.64  1274.25
                             1323.26  1427.42  1458.88  1548.65  1551.11
                             1559.83  1576.93  1725.88  1769.76  1798.84
                             1871.11  1903.75  1912.42  1942.15  2031.48
                             2119.98  2155.87  2159.84  3122.09  3175.25
                             3230.08  3285.01  3286.96  3288.86  4346.87
                             4379.73  4408.73  4434.00  4436.91  4438.95
 
 Zero-point correction=                           0.139662 (Hartree/Particle)
 Thermal correction to Energy=                    0.147314
 Thermal correction to Enthalpy=                  0.148258
 Thermal correction to Gibbs Free Energy=         0.109603
 Sum of electronic and zero-point Energies=           -197.732195
 Sum of electronic and thermal Energies=              -197.724543
 Sum of electronic and thermal Enthalpies=            -197.723599
 Sum of electronic and thermal Free Energies=         -197.762254
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   92.441             29.041             81.357
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             38.982
 Rotational               0.889              2.981             26.159
 Vibrational             90.663             23.079             16.215
 Vibration     1          0.622              1.889              2.523
 Vibration     2          0.640              1.833              2.090
 Vibration     3          0.653              1.792              1.862
 Vibration     4          0.671              1.737              1.629
 Vibration     5          0.693              1.674              1.416
 Vibration     6          0.695              1.666              1.395
 Vibration     7          0.747              1.520              1.053
 Vibration     8          0.749              1.516              1.045
 Vibration     9          0.759              1.489              0.995
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.385734D-50        -50.413712       -116.081863
 Total V=0       0.670519D+14         13.826411         31.836488
 Vib (Bot)       0.122197D-62        -62.912941       -144.862401
 Vib (Bot)    1  0.124459D+01          0.095026          0.218806
 Vib (Bot)    2  0.972050D+00         -0.012311         -0.028348
 Vib (Bot)    3  0.847479D+00         -0.071871         -0.165489
 Vib (Bot)    4  0.731332D+00         -0.135885         -0.312887
 Vib (Bot)    5  0.633709D+00         -0.198110         -0.456165
 Vib (Bot)    6  0.624047D+00         -0.204783         -0.471530
 Vib (Bot)    7  0.481496D+00         -0.317407         -0.730856
 Vib (Bot)    8  0.478068D+00         -0.320510         -0.738002
 Vib (Bot)    9  0.458298D+00         -0.338852         -0.780235
 Vib (V=0)       0.212414D+02          1.327183          3.055951
 Vib (V=0)    1  0.184127D+01          0.265117          0.610455
 Vib (V=0)    2  0.159311D+01          0.202245          0.465686
 Vib (V=0)    3  0.148398D+01          0.171429          0.394729
 Vib (V=0)    4  0.138592D+01          0.141737          0.326361
 Vib (V=0)    5  0.130721D+01          0.116345          0.267895
 Vib (V=0)    6  0.129965D+01          0.113825          0.262092
 Vib (V=0)    7  0.119415D+01          0.077057          0.177431
 Vib (V=0)    8  0.119177D+01          0.076193          0.175442
 Vib (V=0)    9  0.117826D+01          0.071241          0.164039
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.271452D+08          7.433694         17.116712
 Rotational      0.116288D+06          5.065535         11.663826
 
                                                          ROA calculations.
                                                             IR Spectrum
 
   333333                            2222 22                          111 1 1111 111 1111  1                                         
   000000                            2222 21                          544 4 3333 222 0000  09  98 8777  6          333 33 222 1      
   888642                            8884 07                          097 1 5220 530 9877  19  28 1975  8          977 00 630 6      
   542441                            6535 70                          183 2 0930 000 6486  42  06 2583  2          196 40 525 2      
 
   XXXXXX                            XXXX XX                          XXX X XXXX XXX XXXX  XX  XX XXXX              X                
   XXXXXX                            XXXX XX                          XX  X  XX  XX   XX                                             
   XXXXXX                            XXXX XX                                                                                         
   XXXXXX                            XX X XX                                                                                         
   XXXXXX                            XX X XX                                                                                         
   XXXXXX                            XX X  X                                                                                         
   XX XXX                            X                                                                                               
   XX XXX                            X                                                                                               
   XX XXX                            X                                                                                               
   XX  XX                                                                                                                            
   XX  XX                                                                                                                            
   XX   X                                                                                                                            
   XX                                                                                                                                
   XX                                                                                                                                
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000016848   -0.000037164    0.000026376
      2        6           0.000001358    0.000007517    0.000003690
      3        6           0.000004725    0.000008246   -0.000015373
      4        6          -0.000008279    0.000000156    0.000003444
      5        6          -0.000002128   -0.000001408    0.000000971
      6        1           0.000000174    0.000004260   -0.000004700
      7        1          -0.000009109    0.000004069    0.000001894
      8        1           0.000005527    0.000000824   -0.000002879
      9        1          -0.000001352    0.000001441   -0.000000360
     10        1           0.000003279   -0.000001285    0.000003625
     11        1          -0.000002284   -0.000001459   -0.000000562
     12        1           0.000001766   -0.000001317   -0.000002862
     13        1           0.000003678    0.000001538   -0.000001146
     14        1          -0.000008347    0.000008371   -0.000000096
     15        1          -0.000000343    0.000000304   -0.000001242
     16        1          -0.000001587    0.000006311   -0.000006905
     17        1          -0.000003928   -0.000000406   -0.000003876
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000037164 RMS     0.000008117
 Z-matrix is all fixed cartesians, so copy forces.
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.674195D+02  0.196880D-03  0.368958D-03
      2   0.196880D-03  0.674189D+02 -0.216458D-03
      3   0.368958D-03 -0.216458D-03  0.674194D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.652544D-03 -0.205542D-02  0.117051D-03
      2   0.391921D-03 -0.252541D-02 -0.948726D-03
      3  -0.177053D-03  0.457931D-02  0.298603D-02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.422679D+00  0.216826D-01  0.152880D+01
      2   0.193996D+01 -0.119029D+01 -0.557497D+00
      3  -0.151728D+01  0.116861D+01 -0.971305D+00
      4   0.198479D-01  0.194002D+01  0.205856D+01
      5   0.152923D+01  0.205863D+01 -0.151554D+01
      6   0.205900D+01 -0.556724D+00  0.116597D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    51 ND12= 1 LenFil=    1839:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.117149D+01  0.810398D-01  0.431358D+01  0.825033D-01  0.546576D+01
      2   0.810398D-01  0.546072D+01  0.581652D+01  0.546576D+01 -0.335599D+01
      3   0.431358D+01  0.581652D+01 -0.427585D+01  0.580672D+01 -0.157970D+01
                 6             7             8             9            10 
      1   0.580672D+01  0.431051D+01  0.581050D+01 -0.427195D+01 -0.882469D+00
      2  -0.157970D+01  0.581050D+01 -0.157963D+01  0.328222D+01 -0.592673D-01
      3   0.328454D+01 -0.427195D+01  0.328222D+01 -0.271797D+01 -0.286497D+01
                11            12            13            14            15 
      1  -0.592673D-01 -0.286497D+01  0.289117D+00 -0.500811D+01 -0.422252D+01
      2  -0.373111D+01 -0.422401D+01 -0.500811D+01  0.140510D+01  0.216613D+01
      3  -0.422401D+01  0.365813D+01 -0.422252D+01  0.216613D+01 -0.197853D+01
                16            17            18            19            20 
      1  -0.391270D+01 -0.422159D+01  0.238386D+01  0.254026D+01  0.290759D+00
      2  -0.422159D+01  0.111665D+01 -0.233469D+01  0.290759D+00 -0.431930D+01
      3   0.238386D+01 -0.233469D+01  0.357347D+01 -0.263939D+01 -0.448853D+01
                21            22            23            24            25 
      1  -0.263939D+01 -0.745203D+00 -0.323495D+01 -0.448851D+01 -0.340031D+01
      2  -0.448853D+01 -0.323495D+01  0.399949D+01  0.135872D+01 -0.448770D+01
      3   0.257974D+01 -0.448851D+01  0.135872D+01 -0.247249D+01  0.366783D+01
                26            27            28            29            30 
      1  -0.448770D+01  0.366783D+01  0.237060D+01 -0.105084D+01 -0.318470D+01
      2   0.589455D+00 -0.143272D+01 -0.105084D+01 -0.466939D+01 -0.422856D+01
      3  -0.143272D+01  0.337377D+01 -0.318470D+01 -0.422856D+01  0.287642D+01
                31            32            33            34            35 
      1   0.374081D+00 -0.387348D+01 -0.422936D+01 -0.276510D+01 -0.423034D+01
      2  -0.387348D+01  0.785408D+00  0.116748D+01 -0.423034D+01  0.159660D+01
      3  -0.422936D+01  0.116748D+01 -0.222462D+01  0.367792D+01 -0.365105D+01
                36            37            38            39            40 
      1   0.367792D+01 -0.532987D+00  0.608950D+00 -0.411898D+01 -0.133869D+00
      2  -0.365105D+01  0.608950D+00 -0.350720D+01 -0.433421D+01 -0.412690D+01
      3   0.841773D+00 -0.411898D+01 -0.433421D+01  0.359184D+01 -0.433301D+01
                41            42            43            44            45 
      1  -0.412690D+01 -0.433301D+01 -0.273080D+01 -0.433437D+01  0.297466D+01
      2   0.376263D+01  0.333214D-02 -0.433437D+01  0.139444D+01 -0.234462D+01
      3   0.333214D-02 -0.309484D+01  0.297466D+01 -0.234462D+01  0.302245D+00
                46            47            48            49            50 
      1  -0.676420D+00  0.457648D+00 -0.666043D+00  0.675628D+00  0.276909D+00
      2   0.457648D+00 -0.531736D+00  0.108354D+01  0.276909D+00  0.191898D+01
      3  -0.666043D+00  0.108354D+01 -0.234314D+01  0.361548D+00 -0.220027D+01
                51            52            53            54            55 
      1   0.361548D+00 -0.100345D+01  0.407320D+00 -0.360002D+00  0.334089D+01
      2  -0.220027D+01  0.407320D+00 -0.206883D+01  0.263416D+01 -0.188998D+01
      3   0.284570D+01 -0.360002D+00  0.263416D+01 -0.734747D+01 -0.107488D+01
                56            57            58            59            60 
      1  -0.188998D+01 -0.107488D+01 -0.335287D+01  0.297123D+01  0.185149D+01
      2   0.215954D+01  0.106615D+01  0.297123D+01 -0.456782D+01 -0.182769D+01
      3   0.106615D+01  0.858228D+00  0.185149D+01 -0.182769D+01 -0.194280D+01
                61            62            63            64            65 
      1  -0.690882D+00  0.984238D+00  0.970066D+00  0.515844D+01  0.250445D+01
      2   0.984238D+00 -0.113700D+01 -0.958655D+00  0.250445D+01  0.246261D+01
      3   0.970066D+00 -0.958655D+00 -0.179008D+01  0.866680D+00  0.735872D+00
                66            67            68            69            70 
      1   0.866680D+00  0.315665D+01  0.297277D+01  0.673156D+00  0.257580D+01
      2   0.735872D+00  0.297277D+01  0.323859D+01  0.376762D+00  0.148896D+01
      3   0.800890D+00  0.673156D+00  0.376762D+00  0.118206D+01  0.831227D+00
                71            72            73            74            75 
      1   0.148896D+01  0.831227D+00 -0.240354D+01  0.323782D+00 -0.172141D+01
      2   0.131432D+01  0.100191D+01  0.323782D+00 -0.268132D+00  0.668945D+00
      3   0.100191D+01  0.870758D+00 -0.172141D+01  0.668945D+00 -0.226249D+01
                76            77            78            79            80 
      1   0.138352D+01 -0.371023D+00  0.146258D+01 -0.220521D+01  0.596680D+00
      2  -0.371023D+00  0.792578D+00 -0.122487D+01  0.596680D+00 -0.139816D+01
      3   0.146258D+01 -0.122487D+01  0.244033D+01 -0.304347D+01  0.893157D+00
                81            82            83            84            85 
      1  -0.304347D+01 -0.633685D+01 -0.199428D+01  0.197903D+01 -0.119588D+01
      2   0.893157D+00 -0.199428D+01 -0.137642D+01  0.876648D+00 -0.112679D+01
      3  -0.665601D+01  0.197903D+01  0.876648D+00 -0.190146D+01  0.804694D+00
                86            87            88            89            90 
      1  -0.112679D+01  0.804694D+00  0.366732D+01  0.162592D+01 -0.215433D+01
      2  -0.160548D+01  0.503506D+00  0.162592D+01  0.140203D+01 -0.679121D+00
      3   0.503506D+00 -0.328711D+00 -0.215433D+01 -0.679121D+00  0.190200D+01
                91            92            93            94            95 
      1   0.101407D+01 -0.126878D+01 -0.247827D+00 -0.138825D+01  0.118606D+01
      2  -0.126878D+01  0.314722D+01  0.127947D+01  0.118606D+01 -0.771462D+01
      3  -0.247827D+00  0.127947D+01  0.802206D+00  0.562981D+00 -0.224833D+01
                96            97            98            99           100 
      1   0.562981D+00 -0.174821D+00  0.605336D+00  0.178762D-01 -0.213012D+01
      2  -0.224833D+01  0.605336D+00 -0.169263D+01 -0.143325D+01  0.148842D+01
      3  -0.158809D+01  0.178762D-01 -0.143325D+01 -0.158003D+01 -0.104107D+01
               101           102           103           104           105 
      1   0.148842D+01 -0.104107D+01  0.110933D+01 -0.105650D+01  0.108334D+01
      2  -0.109185D+01  0.115447D+01 -0.105650D+01  0.312028D+01 -0.182085D+01
      3   0.115447D+01 -0.154560D+01  0.108334D+01 -0.182085D+01  0.183967D+01
               106           107           108           109           110 
      1  -0.190810D+01  0.190435D+01 -0.200933D+01  0.208375D+01  0.185874D+01
      2   0.190435D+01 -0.346548D+01  0.269873D+01  0.185874D+01  0.374332D+01
      3  -0.200933D+01  0.269873D+01 -0.418478D+01  0.132147D+01  0.172428D+01
               111           112           113           114           115 
      1   0.132147D+01  0.144331D+01  0.182031D+01  0.100305D+01  0.124907D+01
      2   0.172428D+01  0.182031D+01  0.499771D+01  0.185725D+01  0.105760D+01
      3   0.137037D+01  0.100305D+01  0.185725D+01  0.176429D+01  0.613852D+00
               116           117           118           119           120 
      1   0.105760D+01  0.613852D+00 -0.570063D+01  0.645707D+00  0.308460D+01
      2   0.227639D+01  0.218565D+01  0.645707D+00 -0.908979D+00  0.390611D-02
      3   0.218565D+01  0.211329D+01  0.308460D+01  0.390611D-02 -0.281944D+01
               121           122           123           124           125 
      1  -0.942147D+00 -0.350117D+00  0.797773D+00  0.331622D+01 -0.756977D-01
      2  -0.350117D+00 -0.281018D+00  0.432851D+00 -0.756977D-01  0.941294D+00
      3   0.797773D+00  0.432851D+00 -0.451487D+00 -0.293418D+01  0.657861D+00
               126           127           128           129           130 
      1  -0.293418D+01  0.253151D+01 -0.226004D+01  0.502477D+00 -0.241180D+01
      2   0.657861D+00 -0.226004D+01  0.294119D+01  0.140571D+00  0.313346D+01
      3   0.342715D+01  0.502477D+00  0.140571D+00  0.488488D+00  0.735826D-01
               131           132           133           134           135 
      1   0.313346D+01  0.735826D-01 -0.468488D+00  0.897757D+00  0.195607D+00
      2  -0.695744D+01  0.420779D+00  0.897757D+00 -0.133933D+01 -0.554184D+00
      3   0.420779D+00 -0.114706D+01  0.195607D+00 -0.554184D+00 -0.393566D+00
               136           137           138           139           140 
      1  -0.320236D+01 -0.101599D+01  0.275206D+01 -0.657378D+00 -0.477475D+00
      2  -0.101599D+01 -0.120996D+01  0.158834D+01 -0.477475D+00 -0.139798D+01
      3   0.275206D+01  0.158834D+01 -0.420614D+01  0.867976D+00  0.122601D+01
               141           142           143           144           145 
      1   0.867976D+00  0.211398D+01  0.918484D+00 -0.230061D+01  0.399735D+01
      2   0.122601D+01  0.918484D+00  0.109517D+01 -0.121215D+01  0.127966D+01
      3  -0.880649D+00 -0.230061D+01 -0.121215D+01  0.502675D+01  0.273937D+01
               146           147           148           149           150 
      1   0.127966D+01  0.273937D+01  0.231327D+01  0.179884D+01  0.192451D+01
      2   0.169949D+01  0.113658D+01  0.179884D+01  0.185958D+01  0.138888D+01
      3   0.113658D+01  0.232781D+01  0.192451D+01  0.138888D+01  0.275270D+01
               151           152           153 
      1   0.202696D+01  0.105255D+01  0.174098D+01
      2   0.105255D+01  0.954706D+00  0.124675D+01
      3   0.174098D+01  0.124675D+01  0.323869D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.113922D-01  0.415245D-02  0.201128D-02 -0.378499D-02 -0.193815D-01
      2   0.114487D-01  0.141352D-01  0.479537D+01  0.136229D-01  0.260020D-02
      3  -0.226862D-01 -0.478437D+01 -0.178494D-02  0.479371D+01 -0.197355D-01
                 6             7             8             9            10 
      1  -0.478346D+01  0.216443D-01  0.477588D+01 -0.126029D-01  0.117193D+01
      2   0.809992D-02 -0.478843D+01 -0.825687D-02  0.127735D-02 -0.708203D+01
      3   0.189461D-02  0.977179D-03 -0.446978D-02 -0.142439D-01 -0.982952D+00
                11            12            13            14            15 
      1   0.677386D+01  0.369029D+01  0.854214D+01 -0.181818D+01 -0.432233D+01
      2  -0.621023D+01  0.336416D+01 -0.572854D+01 -0.271076D+01 -0.781911D+01
      3   0.440266D+01  0.503732D+01  0.100774D+02 -0.311896D+01 -0.583601D+01
                16            17            18            19            20 
      1   0.429321D+01  0.677782D+00  0.670721D+00 -0.321137D+01 -0.205142D+01
      2  -0.358805D+01 -0.841213D+01  0.976051D+01  0.651900D+01  0.623554D+01
      3   0.454958D+01 -0.407254D+01  0.411639D+01 -0.432913D+01 -0.726985D+01
                21            22            23            24            25 
      1   0.737361D+01 -0.314658D+01 -0.304620D+01 -0.538241D+01  0.886221D+01
      2  -0.378647D+01  0.519213D+01 -0.426196D+01 -0.157201D+01 -0.947599D+01
      3  -0.302480D+01 -0.916673D+00  0.101473D+02  0.740486D+01 -0.197703D+01
                26            27            28            29            30 
      1   0.190425D+00  0.625096D+01  0.442989D+01  0.458589D+01 -0.715201D+01
      2  -0.306495D+01 -0.227824D+01  0.109964D+01  0.466537D+01  0.421737D+00
      3   0.631461D+01 -0.579363D+01  0.458256D+01 -0.876427D+01 -0.909467D+01
                31            32            33            34            35 
      1   0.504437D+01 -0.241156D+01  0.349811D+01 -0.865269D+01  0.979931D+01
      2   0.386917D+01  0.783657D+00  0.462709D+01 -0.402935D+01  0.612785D+01
      3  -0.187202D+01 -0.711781D+01 -0.582751D+01 -0.829488D+01 -0.537392D+01
                36            37            38            39            40 
      1  -0.199723D+01 -0.237225D+01 -0.930414D+01 -0.392432D+01 -0.104242D+02
      2  -0.186295D+01 -0.549732D+00 -0.471441D+01  0.117434D+02 -0.335170D+01
      3   0.253323D+01  0.748734D+00 -0.117884D+00  0.708922D+01  0.447158D+01
                41            42            43            44            45 
      1   0.729354D+01 -0.556476D+01 -0.453597D+01  0.108954D+01 -0.492922D+01
      2   0.618154D+01  0.477462D+01  0.534186D+01  0.537278D+01 -0.562620D+01
      3   0.944901D-01  0.424443D+01  0.573851D+01  0.313000D+01 -0.841155D+00
                46            47            48            49            50 
      1  -0.294983D+00  0.914859D+00  0.950159D-01 -0.370159D+00 -0.221966D+01
      2  -0.273919D+01  0.177368D+01 -0.241556D+01  0.277206D+01 -0.247633D+01
      3  -0.140457D+01 -0.691059D-01 -0.147966D+01  0.144272D+01 -0.202196D+01
                51            52            53            54            55 
      1  -0.109355D+00 -0.405966D+00  0.415989D+01  0.724306D+00  0.253265D+01
      2   0.443690D+01 -0.522270D+01  0.430633D+01 -0.998778D+01  0.254151D+01
      3   0.284341D+01 -0.232453D+01  0.285814D+01 -0.390217D+01  0.272783D+01
                56            57            58            59            60 
      1  -0.384648D+01 -0.723938D+00 -0.360905D+01  0.692048D+01  0.534064D-01
      2  -0.586988D+00  0.166436D+01 -0.203264D+01  0.934706D+00 -0.191570D+01
      3  -0.576268D+01 -0.194227D+01 -0.247913D+01  0.902328D+01  0.267695D+01
                61            62            63            64            65 
      1  -0.157180D+01  0.287085D+01  0.995012D+00 -0.324192D+01 -0.294690D+01
      2  -0.829103D+00  0.613693D-01 -0.161331D+01  0.628658D+01  0.415292D+01
      3  -0.139207D+01  0.275385D+01  0.151527D+01 -0.468090D+00 -0.479196D+01
                66            67            68            69            70 
      1  -0.256497D+01 -0.334374D+01 -0.312778D+01 -0.302833D+01 -0.171318D+01
      2   0.470876D+01  0.420521D+01  0.387225D+01  0.423178D+01  0.229858D+01
      3  -0.913090D+00 -0.837170D+00 -0.431152D+01 -0.522724D+00 -0.218857D+00
                71            72            73            74            75 
      1  -0.805102D+00 -0.228036D+01 -0.207008D+01  0.207668D+01 -0.330920D+01
      2   0.286715D+01  0.318110D+01 -0.795029D+00 -0.641208D+00  0.288141D+01
      3  -0.206535D+01 -0.115521D+01  0.246645D+01 -0.208448D+01  0.270686D+01
                76            77            78            79            80 
      1   0.147789D+01 -0.312524D+01  0.246789D+01 -0.370989D+01  0.551382D+01
      2   0.511759D+00  0.123306D+01 -0.210614D+01 -0.106400D+01 -0.929243D+00
      3  -0.494189D+00  0.198754D+01 -0.270850D+01  0.264441D+01 -0.387368D+01
                81            82            83            84            85 
      1  -0.753223D+01  0.398954D+01  0.117934D+01 -0.404760D+01  0.179549D+01
      2   0.616920D+01 -0.647225D+01 -0.252302D+01  0.702600D+01 -0.205413D+01
      3   0.464111D+01  0.523652D+01 -0.199010D+01 -0.146360D+01  0.144776D+01
                86            87            88            89            90 
      1   0.130271D+01 -0.180194D+01 -0.336368D+01 -0.140054D-01  0.334608D+01
      2  -0.132674D+01  0.176738D+01  0.366034D+01  0.159310D+01 -0.555120D+01
      3  -0.107917D+01 -0.473121D+00 -0.267775D+01  0.128418D+01  0.177147D+01
                91            92            93            94            95 
      1   0.851022D+00 -0.146131D+01  0.968386D+00 -0.582870D+00  0.444556D+01
      2   0.164220D+01 -0.219305D+01  0.178492D+00 -0.296472D+01  0.376840D+01
      3  -0.396567D+01  0.351417D+01  0.134421D+01  0.667420D+01 -0.965525D+01
                96            97            98            99           100 
      1  -0.284413D+01 -0.537560D+00  0.115804D+01 -0.120478D+01  0.205711D+01
      2   0.172551D+01 -0.124508D+01  0.194738D+01  0.135046D+01  0.920121D+00
      3  -0.318201D+01  0.175968D+01 -0.288099D+01 -0.141462D+01 -0.233200D+01
               101           102           103           104           105 
      1  -0.177677D+01  0.400638D+01 -0.235677D+01  0.319882D+01 -0.570362D+01
      2  -0.160581D+01  0.317659D+01 -0.762793D+00  0.205628D+01 -0.300847D+01
      3  -0.163533D+00 -0.447911D+00  0.246980D+01  0.140907D+01  0.305770D+00
               106           107           108           109           110 
      1   0.359174D+01 -0.275011D+01  0.926938D+01 -0.129302D+01 -0.595442D-01
      2   0.174301D+00 -0.274251D+01  0.564415D+01 -0.301092D+01 -0.204946D+01
      3  -0.253410D+01 -0.101186D+01 -0.850874D+00  0.633344D+01  0.371721D+01
               111           112           113           114           115 
      1  -0.254143D+01 -0.930102D+00  0.111348D+00 -0.408647D+01 -0.505883D+00
      2  -0.225832D+00 -0.265940D+01 -0.249492D+01 -0.135385D+01 -0.259549D+01
      3   0.334097D+01  0.648300D+01  0.608563D+01  0.342216D+01  0.429641D+01
               116           117           118           119           120 
      1  -0.634665D+00 -0.289582D+01 -0.457697D+01 -0.212114D+01  0.472868D+01
      2  -0.209919D+01 -0.125318D+01  0.114843D+01 -0.352952D+00  0.347440D+01
      3   0.314075D+01  0.260834D+01 -0.795023D+01 -0.284750D+01  0.492652D+01
               121           122           123           124           125 
      1  -0.104981D+01 -0.122719D+01 -0.602232D-01  0.433527D+01  0.177283D+01
      2   0.772615D-01 -0.241471D+00  0.333210D+00 -0.912249D+00 -0.405436D+00
      3  -0.491815D+00 -0.134933D+01  0.128844D+01  0.540142D+01  0.251954D+01
               126           127           128           129           130 
      1  -0.464812D+01 -0.281456D+01  0.492871D+01  0.208099D+01  0.480184D+01
      2  -0.277806D+01 -0.302131D+01  0.330568D+01  0.132202D+01  0.376113D+01
      3  -0.393739D+01 -0.157083D+01 -0.174135D+01 -0.497914D+00  0.263567D+01
               131           132           133           134           135 
      1  -0.984741D+01 -0.388999D+01  0.114255D+01 -0.120595D+01 -0.187320D+01
      2  -0.460143D+01 -0.246861D+01 -0.193743D+00 -0.137383D+01 -0.999175D+00
      3   0.311743D+01 -0.203443D+00  0.293741D+00  0.405762D+00  0.231912D+00
               136           137           138           139           140 
      1   0.739872D+00 -0.201988D+01 -0.149955D+01  0.174947D+00 -0.143378D+01
      2   0.842329D+01  0.212338D+01 -0.426378D+01  0.230376D+01  0.121548D+01
      3   0.395464D+01 -0.528609D+00 -0.286196D+01  0.180160D+01  0.672610D+00
               141           142           143           144           145 
      1  -0.220402D+00 -0.471235D+00  0.280594D+01  0.251310D+01  0.411454D+01
      2  -0.183097D+01 -0.747803D+01 -0.222829D+01  0.557398D+01 -0.492206D+01
      3  -0.138596D+01 -0.320743D+01 -0.492606D+00  0.270487D+01 -0.302314D+01
               146           147           148           149           150 
      1   0.512409D+01  0.281765D+01  0.398065D+01  0.500504D+01  0.206701D+01
      2  -0.139471D+01 -0.354072D+00 -0.315218D+01 -0.193436D+01  0.170254D+00
      3  -0.442734D+01 -0.271595D+01 -0.149554D+01 -0.386494D+01 -0.204917D+01
               151           152           153 
      1   0.322033D+01  0.430450D+01  0.360251D+01
      2  -0.376374D+01 -0.101079D+01  0.269952D+00
      3  -0.205809D+01 -0.263143D+01 -0.221330D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.477915D+01 -0.334284D+01  0.303054D+01 -0.331167D+01 -0.190844D+01
      2  -0.193385D+01  0.353921D+01 -0.142397D+01  0.353392D+01  0.165242D+01
      3  -0.284530D+01 -0.196369D+00 -0.160657D+01 -0.222256D+00  0.256019D+00
      4  -0.336724D+01 -0.284255D+01 -0.955545D+00 -0.280402D+01  0.355211D+01
      5   0.300673D+01 -0.961806D+00 -0.376115D+01 -0.956305D+00 -0.140981D+01
      6  -0.960483D+00 -0.143714D+01 -0.215474D+00 -0.141228D+01 -0.418419D+01
                 6             7             8             9            10 
      1  -0.936524D+00  0.306990D+01 -0.925344D+00 -0.286416D+01 -0.629962D+01
      2  -0.415877D+01 -0.142896D+01 -0.413411D+01  0.239749D+00 -0.365293D+01
      3   0.509530D+01 -0.164094D+01  0.505946D+01  0.262442D+01  0.995255D+01
      4  -0.141086D+01 -0.939795D+00 -0.144479D+01 -0.264903D+00 -0.140167D+01
      5  -0.220379D+00 -0.373032D+01 -0.248608D+00 -0.164637D+01 -0.586196D+01
      6  -0.627161D+00 -0.262388D+00 -0.645548D+00  0.506133D+01 -0.420073D+01
                11            12            13            14            15 
      1  -0.427369D+01 -0.241579D+01 -0.448955D+01 -0.847336D+01 -0.145331D+02
      2  -0.653346D+01  0.362267D+01 -0.559744D+01  0.518461D+01  0.187921D+01
      3   0.108071D+02 -0.120689D+01  0.100870D+02  0.328875D+01  0.126539D+02
      4  -0.132038D+02 -0.103528D+02 -0.138972D+02  0.223380D+01  0.169897D+01
      5  -0.894559D+01  0.626817D+01 -0.963340D+01  0.720679D+01  0.305978D+01
      6   0.462713D+01  0.877441D+01  0.496872D+01 -0.368423D+01 -0.725695D+01
                16            17            18            19            20 
      1  -0.257966D+01 -0.147399D+02  0.144487D+02 -0.939395D+01 -0.904765D+01
      2   0.312588D+01  0.251673D+01 -0.114084D+01  0.298970D+01  0.613628D+01
      3  -0.546218D+00  0.122231D+02 -0.133079D+02  0.640424D+01  0.291137D+01
      4  -0.112438D+02  0.888502D+00 -0.102618D+01 -0.412593D+01  0.176311D+01
      5   0.644388D+01  0.253621D+01 -0.719955D+00  0.507803D+01  0.753521D+01
      6   0.752016D+01 -0.731318D+01  0.805914D+01  0.674111D+01  0.110833D+02
                21            22            23            24            25 
      1   0.552756D+01 -0.918835D+01  0.144858D+02  0.963744D+01  0.600196D+01
      2   0.911776D+01  0.525713D+01 -0.149852D+02 -0.111293D+02  0.835642D+01
      3  -0.146453D+02  0.393122D+01  0.499410D+00  0.149183D+01 -0.143584D+02
      4   0.114195D+02  0.249724D+01  0.313041D+01  0.504219D+01  0.121002D+02
      5  -0.638377D+01  0.763715D+01  0.422496D+01  0.810176D+01 -0.730606D+01
      6   0.795219D-01  0.101914D+02 -0.767404D+01 -0.172495D+01  0.134045D+00
                26            27            28            29            30 
      1   0.102103D+02 -0.518495D+01 -0.366404D+01  0.746441D+01  0.111741D+02
      2  -0.112239D+02  0.119436D+02  0.519245D+01 -0.959738D+01 -0.173487D+02
      3   0.101361D+01 -0.675868D+01 -0.152841D+01  0.213297D+01  0.617456D+01
      4   0.518452D+01  0.501423D+00  0.282434D+01 -0.605017D+00 -0.205288D+01
      5   0.714188D+01 -0.966074D+01  0.679736D+01  0.330067D+01 -0.107308D+02
      6  -0.105286D+01  0.600580D+00 -0.551485D+01 -0.136176D+02  0.469530D+01
                31            32            33            34            35 
      1   0.754328D+01  0.580246D+01  0.600671D+01  0.116274D+02  0.521887D+01
      2  -0.923061D+01 -0.278174D+01 -0.878974D-01 -0.171904D+02 -0.166486D+00
      3   0.168733D+01 -0.302072D+01 -0.591881D+01  0.556303D+01 -0.505238D+01
      4  -0.261481D+00 -0.108195D+02 -0.118155D+02 -0.154784D+01 -0.125135D+02
      5   0.459588D+01 -0.693135D+01  0.118548D+01 -0.108919D+02  0.213954D+01
      6  -0.127540D+02  0.244239D+01 -0.944428D+01  0.520281D+01 -0.986002D+01
                36            37            38            39            40 
      1  -0.200292D+01  0.277088D+01  0.191457D+01 -0.106506D+02  0.213405D+01
      2  -0.289417D+01  0.431637D+01  0.142685D+02  0.290206D+01  0.138811D+02
      3   0.489708D+01 -0.708725D+01 -0.161831D+02  0.774852D+01 -0.160151D+02
      4   0.852308D+01 -0.125233D+01 -0.797343D+01 -0.132661D+00 -0.842807D+01
      5   0.268763D+00 -0.236908D+01 -0.300004D+01 -0.102835D+02 -0.373469D+01
      6   0.280735D+01  0.186709D+01 -0.379406D+01 -0.138742D+02 -0.411939D+01
                41            42            43            44            45 
      1  -0.299040D+01 -0.225113D+01 -0.114385D+02 -0.183150D+01  0.476189D+00
      2  -0.771709D+01  0.433719D+01  0.400893D+01  0.384231D+01  0.355931D+01
      3   0.107075D+02 -0.208606D+01  0.742957D+01 -0.201082D+01 -0.403550D+01
      4   0.971234D+01  0.335764D+01 -0.433720D+00  0.475749D+01 -0.825667D+01
      5  -0.620811D+01 -0.126720D+02 -0.943137D+01 -0.120990D+02  0.819748D+01
      6   0.391091D+01  0.976943D+00 -0.131275D+02  0.792069D+00 -0.530372D+01
                46            47            48            49            50 
      1  -0.162161D+01  0.334466D+01 -0.584523D+01  0.284948D+01 -0.629089D+01
      2  -0.537408D+00 -0.102139D+01 -0.155583D+01 -0.803201D+00  0.245344D+01
      3   0.215902D+01 -0.232327D+01  0.740105D+01 -0.204628D+01  0.383745D+01
      4  -0.706053D+00  0.232949D+01 -0.275158D+00  0.363451D+01  0.240400D+01
      5   0.280766D+01 -0.811695D+00  0.320459D+01 -0.160903D+01 -0.281057D+01
      6  -0.196831D+01  0.290005D+01 -0.392895D+01  0.227826D+00 -0.922558D+01
                51            52            53            54            55 
      1   0.980361D+01 -0.432412D+01  0.944575D+01 -0.208432D+02  0.134907D+02
      2  -0.964734D-01  0.112182D+01 -0.148203D+00 -0.107557D+02 -0.766687D+01
      3  -0.970714D+01  0.320230D+01 -0.929755D+01  0.315988D+02 -0.582388D+01
      4  -0.294303D+01 -0.712740D+00 -0.363484D+01  0.381648D+01 -0.837249D+01
      5   0.386886D+01  0.542252D+01  0.322626D+01 -0.961828D+01 -0.100020D+02
      6   0.121892D+02 -0.138410D+01  0.118598D+02 -0.160532D+02  0.500143D+01
                56            57            58            59            60 
      1  -0.623770D+01 -0.316555D+01 -0.902135D+01  0.327470D+01  0.142884D+01
      2   0.483230D+01  0.414399D+01  0.597969D+01  0.507208D+00 -0.393481D+01
      3   0.140541D+01 -0.978442D+00  0.304166D+01 -0.378190D+01  0.250598D+01
      4   0.108594D+02  0.428133D+01  0.124151D+02 -0.158758D+02 -0.527958D+01
      5   0.709799D+01  0.725687D+01  0.102909D+02 -0.806000D+01 -0.887358D+01
      6  -0.546542D+01 -0.347546D+01 -0.664322D+01  0.122472D+02  0.763126D+01
                61            62            63            64            65 
      1  -0.198112D+01  0.172672D+01 -0.125451D+01  0.232134D+02  0.954991D+01
      2   0.379732D+01 -0.298450D+01 -0.390353D+01 -0.641655D+01  0.837090D+00
      3  -0.181620D+01  0.125778D+01  0.515804D+01 -0.167968D+02 -0.103870D+02
      4   0.362306D+01 -0.370665D+01 -0.371319D+01  0.155572D+02  0.139484D+02
      5   0.707288D+01 -0.577830D+01 -0.700323D+01 -0.195164D+01 -0.143382D+00
      6  -0.400938D+01  0.668649D+01  0.332868D+01 -0.172207D+01 -0.304098D+01
                66            67            68            69            70 
      1   0.422591D+01  0.108020D+02  0.525614D+01  0.317784D+01  0.814785D+01
      2  -0.141083D+00  0.899012D+00  0.598479D+01  0.172443D+01 -0.207802D+01
      3  -0.408482D+01 -0.117010D+02 -0.112409D+02 -0.490227D+01 -0.606982D+01
      4   0.350944D+01  0.152848D+02  0.145104D+02  0.228340D+01  0.626237D+01
      5   0.460711D+01 -0.103944D+01 -0.112831D+01  0.357052D+01  0.366079D+01
      6   0.484672D+00 -0.271611D+01 -0.205252D+01  0.335682D+01  0.622607D+00
                71            72            73            74            75 
      1   0.339578D+01  0.147526D+01  0.761058D+01 -0.640839D+00  0.363582D+01
      2   0.211868D+01 -0.215492D+00 -0.845347D+01  0.180692D+01 -0.900604D+01
      3  -0.551446D+01 -0.125977D+01  0.842888D+00 -0.116608D+01  0.537022D+01
      4   0.532412D+01  0.371086D+01  0.139777D+01  0.288818D+01 -0.539448D+00
      5   0.264943D+01  0.438167D+01  0.102816D+02 -0.288563D+01  0.132294D+02
      6   0.231608D+01  0.106977D+01  0.346852D+00  0.347631D+00  0.225101D+01
                76            77            78            79            80 
      1  -0.252528D+01 -0.146923D+01 -0.574796D+00  0.390786D+01 -0.176236D+01
      2   0.345325D+01 -0.954286D+00  0.712175D+01 -0.104610D+02  0.589247D+01
      3  -0.927965D+00  0.242352D+01 -0.654696D+01  0.655318D+01 -0.413011D+01
      4   0.223461D+01 -0.356220D+01  0.282440D+01  0.451047D+00  0.368545D+01
      5  -0.576250D+01  0.328389D+01 -0.682350D+01  0.147688D+02 -0.335391D+01
      6   0.660434D+00 -0.236599D+01  0.353979D+01  0.233927D+01  0.483276D+01
                81            82            83            84            85 
      1  -0.332878D+01  0.267763D+02  0.598428D+01 -0.819477D+01  0.424660D+01
      2  -0.195925D+02 -0.827830D+01  0.141723D+01  0.707968D+00  0.182952D+01
      3   0.229212D+02 -0.184980D+02 -0.740151D+01  0.748680D+01 -0.607611D+01
      4   0.530986D-01  0.177373D+02  0.107956D+02 -0.613285D+01  0.961309D+01
      5   0.217351D+02 -0.407276D+01 -0.148043D+01  0.750553D+01 -0.116496D+01
      6   0.466016D+01 -0.401896D+01 -0.195798D+01  0.453885D+01 -0.256734D+01
                86            87            88            89            90 
      1   0.905146D+00 -0.192691D+01 -0.116759D+02 -0.211712D+01  0.508534D+01
      2   0.451191D+01 -0.297875D+00  0.249590D+01 -0.164103D+01 -0.311647D+01
      3  -0.541705D+01  0.222478D+01  0.918000D+01  0.375815D+01 -0.196887D+01
      4   0.682646D+01 -0.415859D+01 -0.943764D+01 -0.707768D+01  0.478189D+01
      5  -0.191721D+01  0.662554D+00  0.742766D+01  0.163934D+01 -0.674803D+01
      6  -0.478928D+00  0.318028D+01  0.448906D+01  0.323071D+01 -0.576930D+01
                91            92            93            94            95 
      1  -0.190920D+01  0.828578D+01  0.251311D+01  0.655599D+01 -0.228109D+02
      2   0.375187D+01 -0.102819D+02 -0.209420D+01 -0.611821D+01  0.334002D+02
      3  -0.184267D+01  0.199611D+01 -0.418911D+00 -0.437778D+00 -0.105893D+02
      4  -0.374652D+01  0.415960D+01  0.311993D+00  0.557852D+01  0.453132D+01
      5  -0.300569D+01  0.180431D+01  0.215764D+01  0.232921D+01 -0.298673D+00
      6   0.229004D+01 -0.631345D+01 -0.459557D+01 -0.328509D+01  0.181655D+02
                96            97            98            99           100 
      1  -0.826845D+01  0.129288D+01 -0.736654D+01 -0.512208D+01  0.475319D+01
      2   0.727153D+01 -0.180124D+01  0.605899D+01  0.215211D+01  0.290241D+00
      3   0.996929D+00  0.508358D+00  0.130755D+01  0.296997D+01 -0.504344D+01
      4   0.118215D+01  0.105334D+00  0.112861D+01  0.275324D+00 -0.907128D+01
      5   0.629840D+00  0.292638D+01 -0.244101D+00  0.147072D+01  0.364993D+01
      6   0.112393D+02 -0.192790D+01  0.105651D+02  0.706652D+01 -0.379709D+01
               101           102           103           104           105 
      1  -0.185424D+01  0.124341D+01 -0.110099D+01 -0.565764D+01  0.172708D+01
      2  -0.323426D+01  0.257943D+01 -0.364220D+01  0.139726D+02 -0.681845D+01
      3   0.508850D+01 -0.382285D+01  0.474320D+01 -0.831493D+01  0.509138D+01
      4   0.888013D+01 -0.569270D+01  0.809891D+01 -0.924693D+01  0.710908D+01
      5  -0.329155D+01  0.686625D+01 -0.252510D+01  0.428266D+01 -0.375732D+01
      6   0.457176D+01 -0.536908D+01  0.484087D+01 -0.812096D+01  0.100216D+02
               106           107           108           109           110 
      1   0.213329D+01  0.372441D+01 -0.261612D+01 -0.264475D+01 -0.877646D+01
      2   0.252271D+01 -0.103083D+02  0.317482D+01  0.433500D+01  0.132007D+02
      3  -0.465600D+01  0.658391D+01 -0.558692D+00 -0.169025D+01 -0.442423D+01
      4  -0.870953D+01  0.102113D+02 -0.806531D+01  0.898774D+01  0.754573D+01
      5   0.729872D+01 -0.504187D+01  0.944877D+01  0.295602D+01  0.186116D+01
      6  -0.630047D+01  0.117392D+02 -0.158577D+02  0.535958D+01  0.849523D+01
               111           112           113           114           115 
      1  -0.553401D+01 -0.654533D+01 -0.163728D+02 -0.804443D+01 -0.481331D+01
      2   0.424490D+01  0.846501D+01  0.246706D+02  0.783696D+01  0.388473D+01
      3   0.128911D+01 -0.191969D+01 -0.829774D+01  0.207466D+00  0.928582D+00
      4   0.394250D+01  0.722030D+01  0.515774D+01  0.301227D+01  0.408201D+01
      5   0.365093D+01  0.130779D+01  0.153159D+01 -0.694395D-01  0.412333D+01
      6   0.668835D+01  0.577453D+01  0.131827D+02  0.111290D+02  0.383785D+01
               116           117           118           119           120 
      1  -0.896739D+01 -0.728761D+01  0.191604D+02  0.338297D+00 -0.762728D+01
      2   0.860940D+01  0.414366D+01 -0.138597D+02 -0.246250D+01  0.990722D+01
      3   0.357986D+00  0.314395D+01 -0.530070D+01  0.212420D+01 -0.227994D+01
      4   0.268669D+01  0.157497D+01 -0.122296D+02  0.625179D+01  0.649541D+01
      5   0.551078D+00  0.123104D+01 -0.162083D+02  0.945866D+00  0.136239D+02
      6   0.122436D+02  0.102214D+02  0.687660D+01 -0.176889D+01 -0.702365D+01
               121           122           123           124           125 
      1   0.276747D+01  0.701441D+00 -0.132474D+01 -0.799381D+01 -0.173974D+01
      2  -0.311278D+01 -0.623529D+00  0.305912D+01  0.102244D+02  0.287151D+01
      3   0.345313D+00 -0.779120D-01 -0.173438D+01 -0.223056D+01 -0.113177D+01
      4   0.365295D+01  0.775575D+00 -0.128637D+01  0.747046D+01 -0.264319D+01
      5  -0.183279D+01 -0.192672D+01  0.148500D+01  0.139431D+02 -0.139169D+01
      6  -0.858928D+00  0.672582D-01  0.303697D+01 -0.641026D+01  0.505162D+01
               126           127           128           129           130 
      1   0.199799D+01  0.511776D+01 -0.225667D+01 -0.215317D+00 -0.233582D+01
      2  -0.895800D+01  0.173931D+01 -0.719886D+01 -0.122465D+01 -0.745076D+01
      3   0.696001D+01 -0.685708D+01  0.945554D+01  0.143997D+01  0.978658D+01
      4  -0.620237D+01 -0.107301D+02  0.130019D+02 -0.461551D+00  0.133668D+02
      5  -0.134231D+02  0.488382D+01 -0.387087D+01  0.433856D+01 -0.493912D+01
      6   0.726831D+01 -0.418772D+01  0.646662D+01 -0.133336D+01  0.623773D+01
               131           132           133           134           135 
      1  -0.638780D+01  0.258942D+01 -0.108874D+01  0.553943D+00 -0.574564D+00
      2   0.238695D+02  0.118183D+01 -0.101918D+01  0.389670D+01  0.150521D+01
      3  -0.174817D+02 -0.377125D+01  0.210792D+01 -0.445064D+01 -0.930649D+00
      4  -0.183805D+02  0.564198D+00  0.222145D+01 -0.243874D+01 -0.169982D+01
      5   0.589316D+01 -0.216450D+01  0.266634D+01 -0.102081D+01 -0.108766D+01
      6  -0.137355D+02  0.617144D+01 -0.587372D+00  0.347330D+01  0.773849D+00
               136           137           138           139           140 
      1  -0.244377D+01 -0.362832D+01  0.920238D+01 -0.262486D+01 -0.375139D+01
      2  -0.423602D+01  0.416958D+00  0.550809D+01 -0.240369D+00  0.244290D+01
      3   0.667979D+01  0.321136D+01 -0.147105D+02  0.286523D+01  0.130849D+01
      4   0.642832D+01  0.446734D+01 -0.412033D+01  0.442298D+01  0.941075D+00
      5  -0.126964D+02 -0.298771D+01  0.113433D+02 -0.204696D+01 -0.215620D+01
      6  -0.530859D+01 -0.674197D+01  0.915021D+01 -0.392581D+01 -0.625042D+01
               141           142           143           144           145 
      1   0.488652D+01  0.730194D+01  0.527196D+01 -0.144976D+02  0.101973D+02
      2  -0.126804D+01  0.290049D+01 -0.609140D+00 -0.977689D+01 -0.125262D+02
      3  -0.361848D+01 -0.102024D+02 -0.466282D+01  0.242745D+02  0.232891D+01
      4  -0.245689D+01 -0.352682D+01 -0.182301D+01  0.400635D+01  0.207069D+01
      5   0.287979D+01  0.102484D+02  0.327225D+01 -0.891802D+01  0.167070D+02
      6   0.819765D+01  0.628163D+01  0.811346D+01 -0.114520D+02  0.319611D+01
               146           147           148           149           150 
      1   0.317677D+01  0.309617D+01  0.424417D+01  0.741262D+00 -0.139718D+01
      2  -0.612561D+01 -0.993991D+01 -0.710278D+01 -0.169634D+01 -0.662072D+01
      3   0.294884D+01  0.684374D+01  0.285861D+01  0.955079D+00  0.801789D+01
      4   0.515296D+01  0.755453D+00  0.479058D+01  0.410992D+01  0.227685D+01
      5   0.583328D+01  0.145263D+02  0.908339D+01  0.642390D+01  0.913713D+01
      6   0.564575D+01  0.315342D+01  0.538103D+01  0.775610D+01  0.580253D+01
               151           152           153 
      1   0.241181D+01 -0.976820D-01 -0.285328D+01
      2  -0.845991D+01 -0.459097D+01 -0.113112D+02
      3   0.604810D+01  0.468866D+01  0.141645D+02
      4   0.235901D+00  0.141577D+01  0.198495D+01
      5   0.127764D+02  0.602247D+01  0.120921D+02
      6   0.358214D+01  0.538638D+01  0.351865D+01
 Leave Link  716 at Thu Jan 27 12:19:59 2022, MaxMem=  5368709120 cpu:               0.2 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.674195D+02  0.196880D-03  0.368958D-03
      2   0.196880D-03  0.674189D+02 -0.216458D-03
      3   0.368958D-03 -0.216458D-03  0.674194D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.652544D-03 -0.205542D-02  0.117051D-03
      2   0.391921D-03 -0.252541D-02 -0.948726D-03
      3  -0.177053D-03  0.457931D-02  0.298603D-02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.422679D+00  0.216826D-01  0.152880D+01
      2   0.193996D+01 -0.119029D+01 -0.557497D+00
      3  -0.151728D+01  0.116861D+01 -0.971305D+00
      4   0.198479D-01  0.194002D+01  0.205856D+01
      5   0.152923D+01  0.205863D+01 -0.151554D+01
      6   0.205900D+01 -0.556724D+00  0.116597D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    51 ND12= 1 LenFil=    1839:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.117149D+01  0.810398D-01  0.431358D+01  0.825033D-01  0.546576D+01
      2   0.810398D-01  0.546072D+01  0.581652D+01  0.546576D+01 -0.335599D+01
      3   0.431358D+01  0.581652D+01 -0.427585D+01  0.580672D+01 -0.157970D+01
                 6             7             8             9            10 
      1   0.580672D+01  0.431051D+01  0.581050D+01 -0.427195D+01 -0.882469D+00
      2  -0.157970D+01  0.581050D+01 -0.157963D+01  0.328222D+01 -0.592673D-01
      3   0.328454D+01 -0.427195D+01  0.328222D+01 -0.271797D+01 -0.286497D+01
                11            12            13            14            15 
      1  -0.592673D-01 -0.286497D+01  0.289117D+00 -0.500811D+01 -0.422252D+01
      2  -0.373111D+01 -0.422401D+01 -0.500811D+01  0.140510D+01  0.216613D+01
      3  -0.422401D+01  0.365813D+01 -0.422252D+01  0.216613D+01 -0.197853D+01
                16            17            18            19            20 
      1  -0.391270D+01 -0.422159D+01  0.238386D+01  0.254026D+01  0.290759D+00
      2  -0.422159D+01  0.111665D+01 -0.233469D+01  0.290759D+00 -0.431930D+01
      3   0.238386D+01 -0.233469D+01  0.357347D+01 -0.263939D+01 -0.448853D+01
                21            22            23            24            25 
      1  -0.263939D+01 -0.745203D+00 -0.323495D+01 -0.448851D+01 -0.340031D+01
      2  -0.448853D+01 -0.323495D+01  0.399949D+01  0.135872D+01 -0.448770D+01
      3   0.257974D+01 -0.448851D+01  0.135872D+01 -0.247249D+01  0.366783D+01
                26            27            28            29            30 
      1  -0.448770D+01  0.366783D+01  0.237060D+01 -0.105084D+01 -0.318470D+01
      2   0.589455D+00 -0.143272D+01 -0.105084D+01 -0.466939D+01 -0.422856D+01
      3  -0.143272D+01  0.337377D+01 -0.318470D+01 -0.422856D+01  0.287642D+01
                31            32            33            34            35 
      1   0.374081D+00 -0.387348D+01 -0.422936D+01 -0.276510D+01 -0.423034D+01
      2  -0.387348D+01  0.785408D+00  0.116748D+01 -0.423034D+01  0.159660D+01
      3  -0.422936D+01  0.116748D+01 -0.222462D+01  0.367792D+01 -0.365105D+01
                36            37            38            39            40 
      1   0.367792D+01 -0.532987D+00  0.608950D+00 -0.411898D+01 -0.133869D+00
      2  -0.365105D+01  0.608950D+00 -0.350720D+01 -0.433421D+01 -0.412690D+01
      3   0.841773D+00 -0.411898D+01 -0.433421D+01  0.359184D+01 -0.433301D+01
                41            42            43            44            45 
      1  -0.412690D+01 -0.433301D+01 -0.273080D+01 -0.433437D+01  0.297466D+01
      2   0.376263D+01  0.333214D-02 -0.433437D+01  0.139444D+01 -0.234462D+01
      3   0.333214D-02 -0.309484D+01  0.297466D+01 -0.234462D+01  0.302245D+00
                46            47            48            49            50 
      1  -0.676420D+00  0.457648D+00 -0.666043D+00  0.675628D+00  0.276909D+00
      2   0.457648D+00 -0.531736D+00  0.108354D+01  0.276909D+00  0.191898D+01
      3  -0.666043D+00  0.108354D+01 -0.234314D+01  0.361548D+00 -0.220027D+01
                51            52            53            54            55 
      1   0.361548D+00 -0.100345D+01  0.407320D+00 -0.360002D+00  0.334089D+01
      2  -0.220027D+01  0.407320D+00 -0.206883D+01  0.263416D+01 -0.188998D+01
      3   0.284570D+01 -0.360002D+00  0.263416D+01 -0.734747D+01 -0.107488D+01
                56            57            58            59            60 
      1  -0.188998D+01 -0.107488D+01 -0.335287D+01  0.297123D+01  0.185149D+01
      2   0.215954D+01  0.106615D+01  0.297123D+01 -0.456782D+01 -0.182769D+01
      3   0.106615D+01  0.858228D+00  0.185149D+01 -0.182769D+01 -0.194280D+01
                61            62            63            64            65 
      1  -0.690882D+00  0.984238D+00  0.970066D+00  0.515844D+01  0.250445D+01
      2   0.984238D+00 -0.113700D+01 -0.958655D+00  0.250445D+01  0.246261D+01
      3   0.970066D+00 -0.958655D+00 -0.179008D+01  0.866680D+00  0.735872D+00
                66            67            68            69            70 
      1   0.866680D+00  0.315665D+01  0.297277D+01  0.673156D+00  0.257580D+01
      2   0.735872D+00  0.297277D+01  0.323859D+01  0.376762D+00  0.148896D+01
      3   0.800890D+00  0.673156D+00  0.376762D+00  0.118206D+01  0.831227D+00
                71            72            73            74            75 
      1   0.148896D+01  0.831227D+00 -0.240354D+01  0.323782D+00 -0.172141D+01
      2   0.131432D+01  0.100191D+01  0.323782D+00 -0.268132D+00  0.668945D+00
      3   0.100191D+01  0.870758D+00 -0.172141D+01  0.668945D+00 -0.226249D+01
                76            77            78            79            80 
      1   0.138352D+01 -0.371023D+00  0.146258D+01 -0.220521D+01  0.596680D+00
      2  -0.371023D+00  0.792578D+00 -0.122487D+01  0.596680D+00 -0.139816D+01
      3   0.146258D+01 -0.122487D+01  0.244033D+01 -0.304347D+01  0.893157D+00
                81            82            83            84            85 
      1  -0.304347D+01 -0.633685D+01 -0.199428D+01  0.197903D+01 -0.119588D+01
      2   0.893157D+00 -0.199428D+01 -0.137642D+01  0.876648D+00 -0.112679D+01
      3  -0.665601D+01  0.197903D+01  0.876648D+00 -0.190146D+01  0.804694D+00
                86            87            88            89            90 
      1  -0.112679D+01  0.804694D+00  0.366732D+01  0.162592D+01 -0.215433D+01
      2  -0.160548D+01  0.503506D+00  0.162592D+01  0.140203D+01 -0.679121D+00
      3   0.503506D+00 -0.328711D+00 -0.215433D+01 -0.679121D+00  0.190200D+01
                91            92            93            94            95 
      1   0.101407D+01 -0.126878D+01 -0.247827D+00 -0.138825D+01  0.118606D+01
      2  -0.126878D+01  0.314722D+01  0.127947D+01  0.118606D+01 -0.771462D+01
      3  -0.247827D+00  0.127947D+01  0.802206D+00  0.562981D+00 -0.224833D+01
                96            97            98            99           100 
      1   0.562981D+00 -0.174821D+00  0.605336D+00  0.178762D-01 -0.213012D+01
      2  -0.224833D+01  0.605336D+00 -0.169263D+01 -0.143325D+01  0.148842D+01
      3  -0.158809D+01  0.178762D-01 -0.143325D+01 -0.158003D+01 -0.104107D+01
               101           102           103           104           105 
      1   0.148842D+01 -0.104107D+01  0.110933D+01 -0.105650D+01  0.108334D+01
      2  -0.109185D+01  0.115447D+01 -0.105650D+01  0.312028D+01 -0.182085D+01
      3   0.115447D+01 -0.154560D+01  0.108334D+01 -0.182085D+01  0.183967D+01
               106           107           108           109           110 
      1  -0.190810D+01  0.190435D+01 -0.200933D+01  0.208375D+01  0.185874D+01
      2   0.190435D+01 -0.346548D+01  0.269873D+01  0.185874D+01  0.374332D+01
      3  -0.200933D+01  0.269873D+01 -0.418478D+01  0.132147D+01  0.172428D+01
               111           112           113           114           115 
      1   0.132147D+01  0.144331D+01  0.182031D+01  0.100305D+01  0.124907D+01
      2   0.172428D+01  0.182031D+01  0.499771D+01  0.185725D+01  0.105760D+01
      3   0.137037D+01  0.100305D+01  0.185725D+01  0.176429D+01  0.613852D+00
               116           117           118           119           120 
      1   0.105760D+01  0.613852D+00 -0.570063D+01  0.645707D+00  0.308460D+01
      2   0.227639D+01  0.218565D+01  0.645707D+00 -0.908979D+00  0.390611D-02
      3   0.218565D+01  0.211329D+01  0.308460D+01  0.390611D-02 -0.281944D+01
               121           122           123           124           125 
      1  -0.942147D+00 -0.350117D+00  0.797773D+00  0.331622D+01 -0.756977D-01
      2  -0.350117D+00 -0.281018D+00  0.432851D+00 -0.756977D-01  0.941294D+00
      3   0.797773D+00  0.432851D+00 -0.451487D+00 -0.293418D+01  0.657861D+00
               126           127           128           129           130 
      1  -0.293418D+01  0.253151D+01 -0.226004D+01  0.502477D+00 -0.241180D+01
      2   0.657861D+00 -0.226004D+01  0.294119D+01  0.140571D+00  0.313346D+01
      3   0.342715D+01  0.502477D+00  0.140571D+00  0.488488D+00  0.735826D-01
               131           132           133           134           135 
      1   0.313346D+01  0.735826D-01 -0.468488D+00  0.897757D+00  0.195607D+00
      2  -0.695744D+01  0.420779D+00  0.897757D+00 -0.133933D+01 -0.554184D+00
      3   0.420779D+00 -0.114706D+01  0.195607D+00 -0.554184D+00 -0.393566D+00
               136           137           138           139           140 
      1  -0.320236D+01 -0.101599D+01  0.275206D+01 -0.657378D+00 -0.477475D+00
      2  -0.101599D+01 -0.120996D+01  0.158834D+01 -0.477475D+00 -0.139798D+01
      3   0.275206D+01  0.158834D+01 -0.420614D+01  0.867976D+00  0.122601D+01
               141           142           143           144           145 
      1   0.867976D+00  0.211398D+01  0.918484D+00 -0.230061D+01  0.399735D+01
      2   0.122601D+01  0.918484D+00  0.109517D+01 -0.121215D+01  0.127966D+01
      3  -0.880649D+00 -0.230061D+01 -0.121215D+01  0.502675D+01  0.273937D+01
               146           147           148           149           150 
      1   0.127966D+01  0.273937D+01  0.231327D+01  0.179884D+01  0.192451D+01
      2   0.169949D+01  0.113658D+01  0.179884D+01  0.185958D+01  0.138888D+01
      3   0.113658D+01  0.232781D+01  0.192451D+01  0.138888D+01  0.275270D+01
               151           152           153 
      1   0.202696D+01  0.105255D+01  0.174098D+01
      2   0.105255D+01  0.954706D+00  0.124675D+01
      3   0.174098D+01  0.124675D+01  0.323869D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.113922D-01  0.415245D-02  0.201128D-02 -0.378499D-02 -0.193815D-01
      2   0.114487D-01  0.141352D-01  0.479537D+01  0.136229D-01  0.260020D-02
      3  -0.226862D-01 -0.478437D+01 -0.178494D-02  0.479371D+01 -0.197355D-01
                 6             7             8             9            10 
      1  -0.478346D+01  0.216443D-01  0.477588D+01 -0.126029D-01  0.117193D+01
      2   0.809992D-02 -0.478843D+01 -0.825687D-02  0.127735D-02 -0.708203D+01
      3   0.189461D-02  0.977179D-03 -0.446978D-02 -0.142439D-01 -0.982952D+00
                11            12            13            14            15 
      1   0.677386D+01  0.369029D+01  0.854214D+01 -0.181818D+01 -0.432233D+01
      2  -0.621023D+01  0.336416D+01 -0.572854D+01 -0.271076D+01 -0.781911D+01
      3   0.440266D+01  0.503732D+01  0.100774D+02 -0.311896D+01 -0.583601D+01
                16            17            18            19            20 
      1   0.429321D+01  0.677782D+00  0.670721D+00 -0.321137D+01 -0.205142D+01
      2  -0.358805D+01 -0.841213D+01  0.976051D+01  0.651900D+01  0.623554D+01
      3   0.454958D+01 -0.407254D+01  0.411639D+01 -0.432913D+01 -0.726985D+01
                21            22            23            24            25 
      1   0.737361D+01 -0.314658D+01 -0.304620D+01 -0.538241D+01  0.886221D+01
      2  -0.378647D+01  0.519213D+01 -0.426196D+01 -0.157201D+01 -0.947599D+01
      3  -0.302480D+01 -0.916673D+00  0.101473D+02  0.740486D+01 -0.197703D+01
                26            27            28            29            30 
      1   0.190425D+00  0.625096D+01  0.442989D+01  0.458589D+01 -0.715201D+01
      2  -0.306495D+01 -0.227824D+01  0.109964D+01  0.466537D+01  0.421737D+00
      3   0.631461D+01 -0.579363D+01  0.458256D+01 -0.876427D+01 -0.909467D+01
                31            32            33            34            35 
      1   0.504437D+01 -0.241156D+01  0.349811D+01 -0.865269D+01  0.979931D+01
      2   0.386917D+01  0.783657D+00  0.462709D+01 -0.402935D+01  0.612785D+01
      3  -0.187202D+01 -0.711781D+01 -0.582751D+01 -0.829488D+01 -0.537392D+01
                36            37            38            39            40 
      1  -0.199723D+01 -0.237225D+01 -0.930414D+01 -0.392432D+01 -0.104242D+02
      2  -0.186295D+01 -0.549732D+00 -0.471441D+01  0.117434D+02 -0.335170D+01
      3   0.253323D+01  0.748734D+00 -0.117884D+00  0.708922D+01  0.447158D+01
                41            42            43            44            45 
      1   0.729354D+01 -0.556476D+01 -0.453597D+01  0.108954D+01 -0.492922D+01
      2   0.618154D+01  0.477462D+01  0.534186D+01  0.537278D+01 -0.562620D+01
      3   0.944901D-01  0.424443D+01  0.573851D+01  0.313000D+01 -0.841155D+00
                46            47            48            49            50 
      1  -0.294983D+00  0.914859D+00  0.950159D-01 -0.370159D+00 -0.221966D+01
      2  -0.273919D+01  0.177368D+01 -0.241556D+01  0.277206D+01 -0.247633D+01
      3  -0.140457D+01 -0.691059D-01 -0.147966D+01  0.144272D+01 -0.202196D+01
                51            52            53            54            55 
      1  -0.109355D+00 -0.405966D+00  0.415989D+01  0.724306D+00  0.253265D+01
      2   0.443690D+01 -0.522270D+01  0.430633D+01 -0.998778D+01  0.254151D+01
      3   0.284341D+01 -0.232453D+01  0.285814D+01 -0.390217D+01  0.272783D+01
                56            57            58            59            60 
      1  -0.384648D+01 -0.723938D+00 -0.360905D+01  0.692048D+01  0.534064D-01
      2  -0.586988D+00  0.166436D+01 -0.203264D+01  0.934706D+00 -0.191570D+01
      3  -0.576268D+01 -0.194227D+01 -0.247913D+01  0.902328D+01  0.267695D+01
                61            62            63            64            65 
      1  -0.157180D+01  0.287085D+01  0.995012D+00 -0.324192D+01 -0.294690D+01
      2  -0.829103D+00  0.613693D-01 -0.161331D+01  0.628658D+01  0.415292D+01
      3  -0.139207D+01  0.275385D+01  0.151527D+01 -0.468090D+00 -0.479196D+01
                66            67            68            69            70 
      1  -0.256497D+01 -0.334374D+01 -0.312778D+01 -0.302833D+01 -0.171318D+01
      2   0.470876D+01  0.420521D+01  0.387225D+01  0.423178D+01  0.229858D+01
      3  -0.913090D+00 -0.837170D+00 -0.431152D+01 -0.522724D+00 -0.218857D+00
                71            72            73            74            75 
      1  -0.805102D+00 -0.228036D+01 -0.207008D+01  0.207668D+01 -0.330920D+01
      2   0.286715D+01  0.318110D+01 -0.795029D+00 -0.641208D+00  0.288141D+01
      3  -0.206535D+01 -0.115521D+01  0.246645D+01 -0.208448D+01  0.270686D+01
                76            77            78            79            80 
      1   0.147789D+01 -0.312524D+01  0.246789D+01 -0.370989D+01  0.551382D+01
      2   0.511759D+00  0.123306D+01 -0.210614D+01 -0.106400D+01 -0.929243D+00
      3  -0.494189D+00  0.198754D+01 -0.270850D+01  0.264441D+01 -0.387368D+01
                81            82            83            84            85 
      1  -0.753223D+01  0.398954D+01  0.117934D+01 -0.404760D+01  0.179549D+01
      2   0.616920D+01 -0.647225D+01 -0.252302D+01  0.702600D+01 -0.205413D+01
      3   0.464111D+01  0.523652D+01 -0.199010D+01 -0.146360D+01  0.144776D+01
                86            87            88            89            90 
      1   0.130271D+01 -0.180194D+01 -0.336368D+01 -0.140054D-01  0.334608D+01
      2  -0.132674D+01  0.176738D+01  0.366034D+01  0.159310D+01 -0.555120D+01
      3  -0.107917D+01 -0.473121D+00 -0.267775D+01  0.128418D+01  0.177147D+01
                91            92            93            94            95 
      1   0.851022D+00 -0.146131D+01  0.968386D+00 -0.582870D+00  0.444556D+01
      2   0.164220D+01 -0.219305D+01  0.178492D+00 -0.296472D+01  0.376840D+01
      3  -0.396567D+01  0.351417D+01  0.134421D+01  0.667420D+01 -0.965525D+01
                96            97            98            99           100 
      1  -0.284413D+01 -0.537560D+00  0.115804D+01 -0.120478D+01  0.205711D+01
      2   0.172551D+01 -0.124508D+01  0.194738D+01  0.135046D+01  0.920121D+00
      3  -0.318201D+01  0.175968D+01 -0.288099D+01 -0.141462D+01 -0.233200D+01
               101           102           103           104           105 
      1  -0.177677D+01  0.400638D+01 -0.235677D+01  0.319882D+01 -0.570362D+01
      2  -0.160581D+01  0.317659D+01 -0.762793D+00  0.205628D+01 -0.300847D+01
      3  -0.163533D+00 -0.447911D+00  0.246980D+01  0.140907D+01  0.305770D+00
               106           107           108           109           110 
      1   0.359174D+01 -0.275011D+01  0.926938D+01 -0.129302D+01 -0.595442D-01
      2   0.174301D+00 -0.274251D+01  0.564415D+01 -0.301092D+01 -0.204946D+01
      3  -0.253410D+01 -0.101186D+01 -0.850874D+00  0.633344D+01  0.371721D+01
               111           112           113           114           115 
      1  -0.254143D+01 -0.930102D+00  0.111348D+00 -0.408647D+01 -0.505883D+00
      2  -0.225832D+00 -0.265940D+01 -0.249492D+01 -0.135385D+01 -0.259549D+01
      3   0.334097D+01  0.648300D+01  0.608563D+01  0.342216D+01  0.429641D+01
               116           117           118           119           120 
      1  -0.634665D+00 -0.289582D+01 -0.457697D+01 -0.212114D+01  0.472868D+01
      2  -0.209919D+01 -0.125318D+01  0.114843D+01 -0.352952D+00  0.347440D+01
      3   0.314075D+01  0.260834D+01 -0.795023D+01 -0.284750D+01  0.492652D+01
               121           122           123           124           125 
      1  -0.104981D+01 -0.122719D+01 -0.602232D-01  0.433527D+01  0.177283D+01
      2   0.772615D-01 -0.241471D+00  0.333210D+00 -0.912249D+00 -0.405436D+00
      3  -0.491815D+00 -0.134933D+01  0.128844D+01  0.540142D+01  0.251954D+01
               126           127           128           129           130 
      1  -0.464812D+01 -0.281456D+01  0.492871D+01  0.208099D+01  0.480184D+01
      2  -0.277806D+01 -0.302131D+01  0.330568D+01  0.132202D+01  0.376113D+01
      3  -0.393739D+01 -0.157083D+01 -0.174135D+01 -0.497914D+00  0.263567D+01
               131           132           133           134           135 
      1  -0.984741D+01 -0.388999D+01  0.114255D+01 -0.120595D+01 -0.187320D+01
      2  -0.460143D+01 -0.246861D+01 -0.193743D+00 -0.137383D+01 -0.999175D+00
      3   0.311743D+01 -0.203443D+00  0.293741D+00  0.405762D+00  0.231912D+00
               136           137           138           139           140 
      1   0.739872D+00 -0.201988D+01 -0.149955D+01  0.174947D+00 -0.143378D+01
      2   0.842329D+01  0.212338D+01 -0.426378D+01  0.230376D+01  0.121548D+01
      3   0.395464D+01 -0.528609D+00 -0.286196D+01  0.180160D+01  0.672610D+00
               141           142           143           144           145 
      1  -0.220402D+00 -0.471235D+00  0.280594D+01  0.251310D+01  0.411454D+01
      2  -0.183097D+01 -0.747803D+01 -0.222829D+01  0.557398D+01 -0.492206D+01
      3  -0.138596D+01 -0.320743D+01 -0.492606D+00  0.270487D+01 -0.302314D+01
               146           147           148           149           150 
      1   0.512409D+01  0.281765D+01  0.398065D+01  0.500504D+01  0.206701D+01
      2  -0.139471D+01 -0.354072D+00 -0.315218D+01 -0.193436D+01  0.170254D+00
      3  -0.442734D+01 -0.271595D+01 -0.149554D+01 -0.386494D+01 -0.204917D+01
               151           152           153 
      1   0.322033D+01  0.430450D+01  0.360251D+01
      2  -0.376374D+01 -0.101079D+01  0.269952D+00
      3  -0.205809D+01 -0.263143D+01 -0.221330D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.477915D+01 -0.334284D+01  0.303054D+01 -0.331167D+01 -0.190844D+01
      2  -0.193385D+01  0.353921D+01 -0.142397D+01  0.353392D+01  0.165242D+01
      3  -0.284530D+01 -0.196369D+00 -0.160657D+01 -0.222256D+00  0.256019D+00
      4  -0.336724D+01 -0.284255D+01 -0.955545D+00 -0.280402D+01  0.355211D+01
      5   0.300673D+01 -0.961806D+00 -0.376115D+01 -0.956305D+00 -0.140981D+01
      6  -0.960483D+00 -0.143714D+01 -0.215474D+00 -0.141228D+01 -0.418419D+01
                 6             7             8             9            10 
      1  -0.936524D+00  0.306990D+01 -0.925344D+00 -0.286416D+01 -0.629962D+01
      2  -0.415877D+01 -0.142896D+01 -0.413411D+01  0.239749D+00 -0.365293D+01
      3   0.509530D+01 -0.164094D+01  0.505946D+01  0.262442D+01  0.995255D+01
      4  -0.141086D+01 -0.939795D+00 -0.144479D+01 -0.264903D+00 -0.140167D+01
      5  -0.220379D+00 -0.373032D+01 -0.248608D+00 -0.164637D+01 -0.586196D+01
      6  -0.627161D+00 -0.262388D+00 -0.645548D+00  0.506133D+01 -0.420073D+01
                11            12            13            14            15 
      1  -0.427369D+01 -0.241579D+01 -0.448955D+01 -0.847336D+01 -0.145331D+02
      2  -0.653346D+01  0.362267D+01 -0.559744D+01  0.518461D+01  0.187921D+01
      3   0.108071D+02 -0.120689D+01  0.100870D+02  0.328875D+01  0.126539D+02
      4  -0.132038D+02 -0.103528D+02 -0.138972D+02  0.223380D+01  0.169897D+01
      5  -0.894559D+01  0.626817D+01 -0.963340D+01  0.720679D+01  0.305978D+01
      6   0.462713D+01  0.877441D+01  0.496872D+01 -0.368423D+01 -0.725695D+01
                16            17            18            19            20 
      1  -0.257966D+01 -0.147399D+02  0.144487D+02 -0.939395D+01 -0.904765D+01
      2   0.312588D+01  0.251673D+01 -0.114084D+01  0.298970D+01  0.613628D+01
      3  -0.546218D+00  0.122231D+02 -0.133079D+02  0.640424D+01  0.291137D+01
      4  -0.112438D+02  0.888502D+00 -0.102618D+01 -0.412593D+01  0.176311D+01
      5   0.644388D+01  0.253621D+01 -0.719955D+00  0.507803D+01  0.753521D+01
      6   0.752016D+01 -0.731318D+01  0.805914D+01  0.674111D+01  0.110833D+02
                21            22            23            24            25 
      1   0.552756D+01 -0.918835D+01  0.144858D+02  0.963744D+01  0.600196D+01
      2   0.911776D+01  0.525713D+01 -0.149852D+02 -0.111293D+02  0.835642D+01
      3  -0.146453D+02  0.393122D+01  0.499410D+00  0.149183D+01 -0.143584D+02
      4   0.114195D+02  0.249724D+01  0.313041D+01  0.504219D+01  0.121002D+02
      5  -0.638377D+01  0.763715D+01  0.422496D+01  0.810176D+01 -0.730606D+01
      6   0.795219D-01  0.101914D+02 -0.767404D+01 -0.172495D+01  0.134045D+00
                26            27            28            29            30 
      1   0.102103D+02 -0.518495D+01 -0.366404D+01  0.746441D+01  0.111741D+02
      2  -0.112239D+02  0.119436D+02  0.519245D+01 -0.959738D+01 -0.173487D+02
      3   0.101361D+01 -0.675868D+01 -0.152841D+01  0.213297D+01  0.617456D+01
      4   0.518452D+01  0.501423D+00  0.282434D+01 -0.605017D+00 -0.205288D+01
      5   0.714188D+01 -0.966074D+01  0.679736D+01  0.330067D+01 -0.107308D+02
      6  -0.105286D+01  0.600580D+00 -0.551485D+01 -0.136176D+02  0.469530D+01
                31            32            33            34            35 
      1   0.754328D+01  0.580246D+01  0.600671D+01  0.116274D+02  0.521887D+01
      2  -0.923061D+01 -0.278174D+01 -0.878974D-01 -0.171904D+02 -0.166486D+00
      3   0.168733D+01 -0.302072D+01 -0.591881D+01  0.556303D+01 -0.505238D+01
      4  -0.261481D+00 -0.108195D+02 -0.118155D+02 -0.154784D+01 -0.125135D+02
      5   0.459588D+01 -0.693135D+01  0.118548D+01 -0.108919D+02  0.213954D+01
      6  -0.127540D+02  0.244239D+01 -0.944428D+01  0.520281D+01 -0.986002D+01
                36            37            38            39            40 
      1  -0.200292D+01  0.277088D+01  0.191457D+01 -0.106506D+02  0.213405D+01
      2  -0.289417D+01  0.431637D+01  0.142685D+02  0.290206D+01  0.138811D+02
      3   0.489708D+01 -0.708725D+01 -0.161831D+02  0.774852D+01 -0.160151D+02
      4   0.852308D+01 -0.125233D+01 -0.797343D+01 -0.132661D+00 -0.842807D+01
      5   0.268763D+00 -0.236908D+01 -0.300004D+01 -0.102835D+02 -0.373469D+01
      6   0.280735D+01  0.186709D+01 -0.379406D+01 -0.138742D+02 -0.411939D+01
                41            42            43            44            45 
      1  -0.299040D+01 -0.225113D+01 -0.114385D+02 -0.183150D+01  0.476189D+00
      2  -0.771709D+01  0.433719D+01  0.400893D+01  0.384231D+01  0.355931D+01
      3   0.107075D+02 -0.208606D+01  0.742957D+01 -0.201082D+01 -0.403550D+01
      4   0.971234D+01  0.335764D+01 -0.433720D+00  0.475749D+01 -0.825667D+01
      5  -0.620811D+01 -0.126720D+02 -0.943137D+01 -0.120990D+02  0.819748D+01
      6   0.391091D+01  0.976943D+00 -0.131275D+02  0.792069D+00 -0.530372D+01
                46            47            48            49            50 
      1  -0.162161D+01  0.334466D+01 -0.584523D+01  0.284948D+01 -0.629089D+01
      2  -0.537408D+00 -0.102139D+01 -0.155583D+01 -0.803201D+00  0.245344D+01
      3   0.215902D+01 -0.232327D+01  0.740105D+01 -0.204628D+01  0.383745D+01
      4  -0.706053D+00  0.232949D+01 -0.275158D+00  0.363451D+01  0.240400D+01
      5   0.280766D+01 -0.811695D+00  0.320459D+01 -0.160903D+01 -0.281057D+01
      6  -0.196831D+01  0.290005D+01 -0.392895D+01  0.227826D+00 -0.922558D+01
                51            52            53            54            55 
      1   0.980361D+01 -0.432412D+01  0.944575D+01 -0.208432D+02  0.134907D+02
      2  -0.964734D-01  0.112182D+01 -0.148203D+00 -0.107557D+02 -0.766687D+01
      3  -0.970714D+01  0.320230D+01 -0.929755D+01  0.315988D+02 -0.582388D+01
      4  -0.294303D+01 -0.712740D+00 -0.363484D+01  0.381648D+01 -0.837249D+01
      5   0.386886D+01  0.542252D+01  0.322626D+01 -0.961828D+01 -0.100020D+02
      6   0.121892D+02 -0.138410D+01  0.118598D+02 -0.160532D+02  0.500143D+01
                56            57            58            59            60 
      1  -0.623770D+01 -0.316555D+01 -0.902135D+01  0.327470D+01  0.142884D+01
      2   0.483230D+01  0.414399D+01  0.597969D+01  0.507208D+00 -0.393481D+01
      3   0.140541D+01 -0.978442D+00  0.304166D+01 -0.378190D+01  0.250598D+01
      4   0.108594D+02  0.428133D+01  0.124151D+02 -0.158758D+02 -0.527958D+01
      5   0.709799D+01  0.725687D+01  0.102909D+02 -0.806000D+01 -0.887358D+01
      6  -0.546542D+01 -0.347546D+01 -0.664322D+01  0.122472D+02  0.763126D+01
                61            62            63            64            65 
      1  -0.198112D+01  0.172672D+01 -0.125451D+01  0.232134D+02  0.954991D+01
      2   0.379732D+01 -0.298450D+01 -0.390353D+01 -0.641655D+01  0.837090D+00
      3  -0.181620D+01  0.125778D+01  0.515804D+01 -0.167968D+02 -0.103870D+02
      4   0.362306D+01 -0.370665D+01 -0.371319D+01  0.155572D+02  0.139484D+02
      5   0.707288D+01 -0.577830D+01 -0.700323D+01 -0.195164D+01 -0.143382D+00
      6  -0.400938D+01  0.668649D+01  0.332868D+01 -0.172207D+01 -0.304098D+01
                66            67            68            69            70 
      1   0.422591D+01  0.108020D+02  0.525614D+01  0.317784D+01  0.814785D+01
      2  -0.141083D+00  0.899012D+00  0.598479D+01  0.172443D+01 -0.207802D+01
      3  -0.408482D+01 -0.117010D+02 -0.112409D+02 -0.490227D+01 -0.606982D+01
      4   0.350944D+01  0.152848D+02  0.145104D+02  0.228340D+01  0.626237D+01
      5   0.460711D+01 -0.103944D+01 -0.112831D+01  0.357052D+01  0.366079D+01
      6   0.484672D+00 -0.271611D+01 -0.205252D+01  0.335682D+01  0.622607D+00
                71            72            73            74            75 
      1   0.339578D+01  0.147526D+01  0.761058D+01 -0.640839D+00  0.363582D+01
      2   0.211868D+01 -0.215492D+00 -0.845347D+01  0.180692D+01 -0.900604D+01
      3  -0.551446D+01 -0.125977D+01  0.842888D+00 -0.116608D+01  0.537022D+01
      4   0.532412D+01  0.371086D+01  0.139777D+01  0.288818D+01 -0.539448D+00
      5   0.264943D+01  0.438167D+01  0.102816D+02 -0.288563D+01  0.132294D+02
      6   0.231608D+01  0.106977D+01  0.346852D+00  0.347631D+00  0.225101D+01
                76            77            78            79            80 
      1  -0.252528D+01 -0.146923D+01 -0.574796D+00  0.390786D+01 -0.176236D+01
      2   0.345325D+01 -0.954286D+00  0.712175D+01 -0.104610D+02  0.589247D+01
      3  -0.927965D+00  0.242352D+01 -0.654696D+01  0.655318D+01 -0.413011D+01
      4   0.223461D+01 -0.356220D+01  0.282440D+01  0.451047D+00  0.368545D+01
      5  -0.576250D+01  0.328389D+01 -0.682350D+01  0.147688D+02 -0.335391D+01
      6   0.660434D+00 -0.236599D+01  0.353979D+01  0.233927D+01  0.483276D+01
                81            82            83            84            85 
      1  -0.332878D+01  0.267763D+02  0.598428D+01 -0.819477D+01  0.424660D+01
      2  -0.195925D+02 -0.827830D+01  0.141723D+01  0.707968D+00  0.182952D+01
      3   0.229212D+02 -0.184980D+02 -0.740151D+01  0.748680D+01 -0.607611D+01
      4   0.530986D-01  0.177373D+02  0.107956D+02 -0.613285D+01  0.961309D+01
      5   0.217351D+02 -0.407276D+01 -0.148043D+01  0.750553D+01 -0.116496D+01
      6   0.466016D+01 -0.401896D+01 -0.195798D+01  0.453885D+01 -0.256734D+01
                86            87            88            89            90 
      1   0.905146D+00 -0.192691D+01 -0.116759D+02 -0.211712D+01  0.508534D+01
      2   0.451191D+01 -0.297875D+00  0.249590D+01 -0.164103D+01 -0.311647D+01
      3  -0.541705D+01  0.222478D+01  0.918000D+01  0.375815D+01 -0.196887D+01
      4   0.682646D+01 -0.415859D+01 -0.943764D+01 -0.707768D+01  0.478189D+01
      5  -0.191721D+01  0.662554D+00  0.742766D+01  0.163934D+01 -0.674803D+01
      6  -0.478928D+00  0.318028D+01  0.448906D+01  0.323071D+01 -0.576930D+01
                91            92            93            94            95 
      1  -0.190920D+01  0.828578D+01  0.251311D+01  0.655599D+01 -0.228109D+02
      2   0.375187D+01 -0.102819D+02 -0.209420D+01 -0.611821D+01  0.334002D+02
      3  -0.184267D+01  0.199611D+01 -0.418911D+00 -0.437778D+00 -0.105893D+02
      4  -0.374652D+01  0.415960D+01  0.311993D+00  0.557852D+01  0.453132D+01
      5  -0.300569D+01  0.180431D+01  0.215764D+01  0.232921D+01 -0.298673D+00
      6   0.229004D+01 -0.631345D+01 -0.459557D+01 -0.328509D+01  0.181655D+02
                96            97            98            99           100 
      1  -0.826845D+01  0.129288D+01 -0.736654D+01 -0.512208D+01  0.475319D+01
      2   0.727153D+01 -0.180124D+01  0.605899D+01  0.215211D+01  0.290241D+00
      3   0.996929D+00  0.508358D+00  0.130755D+01  0.296997D+01 -0.504344D+01
      4   0.118215D+01  0.105334D+00  0.112861D+01  0.275324D+00 -0.907128D+01
      5   0.629840D+00  0.292638D+01 -0.244101D+00  0.147072D+01  0.364993D+01
      6   0.112393D+02 -0.192790D+01  0.105651D+02  0.706652D+01 -0.379709D+01
               101           102           103           104           105 
      1  -0.185424D+01  0.124341D+01 -0.110099D+01 -0.565764D+01  0.172708D+01
      2  -0.323426D+01  0.257943D+01 -0.364220D+01  0.139726D+02 -0.681845D+01
      3   0.508850D+01 -0.382285D+01  0.474320D+01 -0.831493D+01  0.509138D+01
      4   0.888013D+01 -0.569270D+01  0.809891D+01 -0.924693D+01  0.710908D+01
      5  -0.329155D+01  0.686625D+01 -0.252510D+01  0.428266D+01 -0.375732D+01
      6   0.457176D+01 -0.536908D+01  0.484087D+01 -0.812096D+01  0.100216D+02
               106           107           108           109           110 
      1   0.213329D+01  0.372441D+01 -0.261612D+01 -0.264475D+01 -0.877646D+01
      2   0.252271D+01 -0.103083D+02  0.317482D+01  0.433500D+01  0.132007D+02
      3  -0.465600D+01  0.658391D+01 -0.558692D+00 -0.169025D+01 -0.442423D+01
      4  -0.870953D+01  0.102113D+02 -0.806531D+01  0.898774D+01  0.754573D+01
      5   0.729872D+01 -0.504187D+01  0.944877D+01  0.295602D+01  0.186116D+01
      6  -0.630047D+01  0.117392D+02 -0.158577D+02  0.535958D+01  0.849523D+01
               111           112           113           114           115 
      1  -0.553401D+01 -0.654533D+01 -0.163728D+02 -0.804443D+01 -0.481331D+01
      2   0.424490D+01  0.846501D+01  0.246706D+02  0.783696D+01  0.388473D+01
      3   0.128911D+01 -0.191969D+01 -0.829774D+01  0.207466D+00  0.928582D+00
      4   0.394250D+01  0.722030D+01  0.515774D+01  0.301227D+01  0.408201D+01
      5   0.365093D+01  0.130779D+01  0.153159D+01 -0.694395D-01  0.412333D+01
      6   0.668835D+01  0.577453D+01  0.131827D+02  0.111290D+02  0.383785D+01
               116           117           118           119           120 
      1  -0.896739D+01 -0.728761D+01  0.191604D+02  0.338297D+00 -0.762728D+01
      2   0.860940D+01  0.414366D+01 -0.138597D+02 -0.246250D+01  0.990722D+01
      3   0.357986D+00  0.314395D+01 -0.530070D+01  0.212420D+01 -0.227994D+01
      4   0.268669D+01  0.157497D+01 -0.122296D+02  0.625179D+01  0.649541D+01
      5   0.551078D+00  0.123104D+01 -0.162083D+02  0.945866D+00  0.136239D+02
      6   0.122436D+02  0.102214D+02  0.687660D+01 -0.176889D+01 -0.702365D+01
               121           122           123           124           125 
      1   0.276747D+01  0.701441D+00 -0.132474D+01 -0.799381D+01 -0.173974D+01
      2  -0.311278D+01 -0.623529D+00  0.305912D+01  0.102244D+02  0.287151D+01
      3   0.345313D+00 -0.779120D-01 -0.173438D+01 -0.223056D+01 -0.113177D+01
      4   0.365295D+01  0.775575D+00 -0.128637D+01  0.747046D+01 -0.264319D+01
      5  -0.183279D+01 -0.192672D+01  0.148500D+01  0.139431D+02 -0.139169D+01
      6  -0.858928D+00  0.672582D-01  0.303697D+01 -0.641026D+01  0.505162D+01
               126           127           128           129           130 
      1   0.199799D+01  0.511776D+01 -0.225667D+01 -0.215317D+00 -0.233582D+01
      2  -0.895800D+01  0.173931D+01 -0.719886D+01 -0.122465D+01 -0.745076D+01
      3   0.696001D+01 -0.685708D+01  0.945554D+01  0.143997D+01  0.978658D+01
      4  -0.620237D+01 -0.107301D+02  0.130019D+02 -0.461551D+00  0.133668D+02
      5  -0.134231D+02  0.488382D+01 -0.387087D+01  0.433856D+01 -0.493912D+01
      6   0.726831D+01 -0.418772D+01  0.646662D+01 -0.133336D+01  0.623773D+01
               131           132           133           134           135 
      1  -0.638780D+01  0.258942D+01 -0.108874D+01  0.553943D+00 -0.574564D+00
      2   0.238695D+02  0.118183D+01 -0.101918D+01  0.389670D+01  0.150521D+01
      3  -0.174817D+02 -0.377125D+01  0.210792D+01 -0.445064D+01 -0.930649D+00
      4  -0.183805D+02  0.564198D+00  0.222145D+01 -0.243874D+01 -0.169982D+01
      5   0.589316D+01 -0.216450D+01  0.266634D+01 -0.102081D+01 -0.108766D+01
      6  -0.137355D+02  0.617144D+01 -0.587372D+00  0.347330D+01  0.773849D+00
               136           137           138           139           140 
      1  -0.244377D+01 -0.362832D+01  0.920238D+01 -0.262486D+01 -0.375139D+01
      2  -0.423602D+01  0.416958D+00  0.550809D+01 -0.240369D+00  0.244290D+01
      3   0.667979D+01  0.321136D+01 -0.147105D+02  0.286523D+01  0.130849D+01
      4   0.642832D+01  0.446734D+01 -0.412033D+01  0.442298D+01  0.941075D+00
      5  -0.126964D+02 -0.298771D+01  0.113433D+02 -0.204696D+01 -0.215620D+01
      6  -0.530859D+01 -0.674197D+01  0.915021D+01 -0.392581D+01 -0.625042D+01
               141           142           143           144           145 
      1   0.488652D+01  0.730194D+01  0.527196D+01 -0.144976D+02  0.101973D+02
      2  -0.126804D+01  0.290049D+01 -0.609140D+00 -0.977689D+01 -0.125262D+02
      3  -0.361848D+01 -0.102024D+02 -0.466282D+01  0.242745D+02  0.232891D+01
      4  -0.245689D+01 -0.352682D+01 -0.182301D+01  0.400635D+01  0.207069D+01
      5   0.287979D+01  0.102484D+02  0.327225D+01 -0.891802D+01  0.167070D+02
      6   0.819765D+01  0.628163D+01  0.811346D+01 -0.114520D+02  0.319611D+01
               146           147           148           149           150 
      1   0.317677D+01  0.309617D+01  0.424417D+01  0.741262D+00 -0.139718D+01
      2  -0.612561D+01 -0.993991D+01 -0.710278D+01 -0.169634D+01 -0.662072D+01
      3   0.294884D+01  0.684374D+01  0.285861D+01  0.955079D+00  0.801789D+01
      4   0.515296D+01  0.755453D+00  0.479058D+01  0.410992D+01  0.227685D+01
      5   0.583328D+01  0.145263D+02  0.908339D+01  0.642390D+01  0.913713D+01
      6   0.564575D+01  0.315342D+01  0.538103D+01  0.775610D+01  0.580253D+01
               151           152           153 
      1   0.241181D+01 -0.976820D-01 -0.285328D+01
      2  -0.845991D+01 -0.459097D+01 -0.113112D+02
      3   0.604810D+01  0.468866D+01  0.141645D+02
      4   0.235901D+00  0.141577D+01  0.198495D+01
      5   0.127764D+02  0.602247D+01  0.120921D+02
      6   0.358214D+01  0.538638D+01  0.351865D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.000000D+00      0.000000D+00      0.000000D+00
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.000000D+00      0.000000D+00      0.000000D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.633544D+02      0.938816D+01      0.104457D+02
   aniso      0.874521D-03      0.129591D-03      0.144189D-03
   xx         0.633546D+02      0.938818D+01      0.104458D+02
   yx         0.121158D-03      0.179538D-04      0.199763D-04
   yy         0.633541D+02      0.938811D+01      0.104457D+02
   zx         0.333036D-03      0.493509D-04      0.549102D-04
   zy        -0.264101D-03     -0.391358D-04     -0.435445D-04
   zz         0.633545D+02      0.938818D+01      0.104458D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.674193D+02      0.999051D+01      0.111159D+02
   aniso      0.976377D-03      0.144684D-03      0.160983D-03
   xx         0.674195D+02      0.999054D+01      0.111160D+02
   yx         0.196880D-03      0.291747D-04      0.324612D-04
   yy         0.674189D+02      0.999046D+01      0.111159D+02
   zx         0.368958D-03      0.546739D-04      0.608329D-04
   zy        -0.216458D-03     -0.320757D-04     -0.356890D-04
   zz         0.674194D+02      0.999052D+01      0.111160D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.00006055         -0.00007651         -0.00001353
     6          0.26199263         -1.77261306          2.27711128
     6         -2.54545343          1.37771083          0.13617663
     6          0.13192763         -1.54554818         -2.44740818
     6          2.15152903          1.94045129          0.03412952
     1         -1.25041329         -3.17768903          2.29985283
     1          0.17452140         -0.71848902          4.05005429
     1          2.06294517         -2.78069274          2.22733021
     1         -4.11526103          0.03703410          0.11598672
     1         -2.78261760          2.65548457         -1.46793627
     1         -2.69011410          2.49703045          1.86485571
     1         -1.38323256         -2.94587511         -2.52154322
     1          1.93017179         -2.54907305         -2.59353798
     1         -0.04999623         -0.32654099         -4.10361464
     1          2.10266955          3.07012064          1.76144199
     1          2.01060407          3.23088344         -1.57120853
     1          3.99110566          1.00827620         -0.06164621

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.000000D+00      0.000000D+00      0.000000D+00
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.000000D+00      0.000000D+00      0.000000D+00

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.633544D+02      0.938816D+01      0.104457D+02
   aniso      0.874521D-03      0.129591D-03      0.144189D-03
   xx         0.633548D+02      0.938821D+01      0.104458D+02
   yx         0.188283D-03      0.279007D-04      0.310437D-04
   yy         0.633544D+02      0.938816D+01      0.104457D+02
   zx         0.194597D-03      0.288364D-04      0.320848D-04
   zy        -0.158742D-03     -0.235231D-04     -0.261730D-04
   zz         0.633540D+02      0.938810D+01      0.104457D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.674193D+02      0.999051D+01      0.111159D+02
   aniso      0.976377D-03      0.144684D-03      0.160983D-03
   xx         0.674198D+02      0.999058D+01      0.111160D+02
   yx         0.110035D-03      0.163055D-04      0.181423D-04
   yy         0.674192D+02      0.999050D+01      0.111159D+02
   zx         0.233436D-03      0.345917D-04      0.384884D-04
   zy        -0.204367D-03     -0.302840D-04     -0.336955D-04
   zz         0.674189D+02      0.999045D+01      0.111159D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F15-05\Freq\RB3LYP\Gen\C5H12\PIERPA\27-Jan-2022\0\\#P B3L
 YP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoSymm,Ma
 xCyc=120,Tight) Polar=ROA Guess=Read CPHF=RdFreq\\ROA calculations.\\0
 ,1\C,0,-0.000018,0.000032,-0.000037\C,0,1.155022,0.323679,-0.955136\C,
 0,-0.986772,-0.946789,-0.693528\C,0,-0.721704,1.296298,0.387111\C,0,0.
 553456,-0.673191,1.261549\H,0,0.788307,0.805116,-1.864672\H,0,1.687788
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 .884223\H,0,-1.551128,1.094379,1.068868\H,0,1.074043,-1.601281,1.01424
 1\H,0,-0.249965,-0.91551,1.96107\H,0,1.260692,-0.018986,1.776681\\Vers
 ion=ES64L-G16RevA.03\State=1-A\HF=-197.8718569\RMSD=4.288e-09\RMSF=8.1
 17e-06\ZeroPoint=0.1396623\Thermal=0.1473137\Dipole=0.000004,-0.000002
 4,-0.0000029\DipoleDeriv=0.1200269,0.0000028,-0.0000522,-0.0000641,0.1
 199791,0.0000181,0.0000535,0.0000032,0.1199942,0.0309372,-0.0139431,0.
 0412147,-0.0139447,0.0768448,0.0114994,0.0412129,0.0115183,0.0467479,0
 .0444183,-0.0349009,-0.0254936,-0.0348826,0.0472809,-0.0245074,-0.0255
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 260949,0.0139163,0.0638241,0.0317239,-0.0260757,0.0316788,0.0213515,0.
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 5783,-0.1127258,-0.0285454,-0.0440687,-0.0782032,-0.077501,0.003516,0.
 0175028,0.0061987,-0.0695583,0.0413295,0.0065428,0.0995405,-0.0950698,
 0.0503731,-0.1055479,-0.0875018,-0.064562,0.0753088,-0.0416034,0.03949
 19,0.0054028,0.1269393,0.0387946,-0.0334883,-0.0012613,0.1087166,0.031
 098,0.0506419,-0.1214395,-0.0695767,0.0050059,-0.0537603,0.0412109,0.0
 244967,0.0562258,-0.0503213,0.0493738,-0.0085673,0.0515855,-0.083643,0
 .1077179,-0.097419,-0.0401725,-0.1099445,-0.0777071,-0.051837,-0.05405
 67,-0.0671476,-0.0515798,-0.0829143,0.0127244,-0.0799842,0.0032807,0.1
 129697,-0.047947,0.029471,0.0426126,0.1201497,0.002255,-0.0309536,0.00
 60573,0.0977345,0.0003304,0.104588,-0.1139363,-0.0083208,0.0336285,-0.
 0644155,0.0263727,-0.0734563,-0.0469948,0.131193,-0.0186595,0.0461977,
 0.0415201,0.0723963,0.0484525,-0.05427,-0.0398254,-0.0708113,-0.093911
 1,-0.1059955,-0.0315783,-0.0789737,-0.0684276,-0.0297717,-0.0100951\Po
 lar=63.3545608,0.0001212,63.3541323,0.000333,-0.0002641,63.3545492\Qua
 drupole=-0.0000654,0.0000364,0.000029,0.0000017,0.0000088,-0.0000159\P
 G=C01 [X(C5H12)]\NImag=0\\0.48647198,-0.00016835,0.48644060,0.00002094
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 0.01475215,-0.07988626,0.01218280,-0.01864296,0.56566100,0.04371312,0.
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 03709294,0.01107272,-0.01959224,0.02376134,0.01229694,0.00976472,-0.01
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 93,0.02190347,-0.01292597,0.00733038,-0.02371039,-0.00912329,0.0128004
 6,-0.01441986,0.55551486,0.01479471,-0.09370439,0.03367862,0.00043413,
 -0.00513121,0.01103208,-0.00745797,0.00873885,-0.01659189,0.01568037,-
 0.02098750,0.02529738,0.01860285,0.54824540,-0.02763094,0.03365285,-0.
 13875589,-0.00282195,0.01395653,-0.02803664,-0.01299973,0.00409110,-0.
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 0.00049211,0.00010880,0.00033977,-0.00090784,-0.00189770,-0.00000910,0
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 88\\\@


 BE NOT THE FIRST BY WHOM THE NEW ARE TRIED,
 NOR YET THE THE LAST TO LAY THE OLD ASIDE.

                          -- ALEXANDER POPE
 Job cpu time:       0 days  2 hours 26 minutes 24.9 seconds.
 Elapsed time:       0 days  0 hours 18 minutes 19.8 seconds.
 File lengths (MBytes):  RWF=    206 Int=      0 D2E=      0 Chk=      8 Scr=      1
 Normal termination of Gaussian 16 at Thu Jan 27 12:20:00 2022.
